Showing NP-Card for Saquayamycin Z (NP0005819)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 02:58:13 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:53:04 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0005819 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Saquayamycin Z | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Saquayamycin Z belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Saquayamycin Z is found in Micromonospora. Saquayamycin Z was first documented in 2005 (PMID: 15835721). Based on a literature review very few articles have been published on Saquayamycin Z. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0005819 (Saquayamycin Z)
Mrv1652307012118053D
203215 0 0 0 0 999 V2000
23.5205 -0.2095 2.6194 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9777 -1.0614 1.4890 C 0 0 2 0 0 0 0 0 0 0 0 0
21.7887 -0.5041 1.0636 O 0 0 0 0 0 0 0 0 0 0 0 0
20.7466 -0.5470 1.9359 C 0 0 1 0 0 0 0 0 0 0 0 0
19.5018 -0.5642 1.2948 O 0 0 0 0 0 0 0 0 0 0 0 0
18.7441 0.5766 1.5397 C 0 0 1 0 0 0 0 0 0 0 0 0
18.4832 1.1473 0.1317 C 0 0 1 0 0 0 0 0 0 0 0 0
17.8218 -0.0177 -0.6111 C 0 0 1 0 0 0 0 0 0 0 0 0
16.6406 -0.5541 0.1020 C 0 0 2 0 0 0 0 0 0 0 0 0
15.5715 0.2999 0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3612 -0.2084 -0.2263 C 0 0 1 0 0 0 0 0 0 0 0 0
13.3858 -0.1755 0.9386 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9783 -0.5487 2.1342 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7015 1.1790 1.0308 C 0 0 2 0 0 0 0 0 0 0 0 0
12.1767 1.5905 -0.3179 C 0 0 2 0 0 0 0 0 0 0 0 0
11.4447 0.5171 -0.8332 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2517 0.9305 -1.3940 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1103 0.4548 -2.8290 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6550 1.4447 -3.6457 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6395 0.3505 -3.1738 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9468 -0.6111 -2.2750 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4644 -0.4287 -2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9020 0.4186 -3.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5450 0.6126 -3.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7466 -0.0662 -2.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 0.0902 -2.4632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9022 0.8601 -3.3125 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5313 -0.5892 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1565 -1.4134 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4635 -1.5548 -0.6522 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2581 -0.9212 -1.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6492 -1.0953 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1679 -1.9620 -0.4792 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2673 -2.1258 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0219 -1.9919 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -1.1244 -0.7111 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4588 -0.1903 0.0932 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8440 -1.9199 -1.4019 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6117 -1.2235 -2.4476 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9790 -2.3134 -3.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8307 -0.7878 -1.9554 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5647 -0.0558 -2.8621 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8284 -0.8155 -3.1932 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.7860 -0.9012 -2.0569 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2828 -0.1077 -0.8405 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.4184 0.1172 -0.0288 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2435 -0.6057 1.1444 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5299 0.1265 2.4031 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.9993 0.0071 2.7199 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6860 0.3189 1.5538 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6504 1.2733 1.8426 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.4358 2.5900 1.1410 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6971 3.2337 0.6482 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.6090 2.2012 -0.0244 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.8903 2.2782 0.4938 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.8479 2.7879 -0.3335 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.9183 1.7697 -0.6132 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.6286 1.4163 0.6649 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5010 0.0367 0.8414 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.7318 -0.5774 0.8625 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.9635 -1.4978 -0.3285 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.0520 -2.6981 -0.3180 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5369 -2.9077 1.0815 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2526 -4.2798 1.2169 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.5843 -2.5433 2.0749 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.8094 -3.4013 1.8703 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.9714 -1.2091 2.0545 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.1074 2.1908 1.8365 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.0741 2.1270 2.8781 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.9716 3.6376 1.4938 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.0057 4.2696 2.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5038 3.8947 0.2209 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.0561 0.8377 0.1551 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.8893 -0.2327 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8748 0.6742 1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2467 -1.4740 3.0849 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.8872 -1.6277 4.4116 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3498 -2.3128 2.2269 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.0364 -3.6362 1.9677 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1208 -1.7191 0.9845 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7838 1.2042 -1.3259 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0064 2.0324 -1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9474 1.1797 -2.4098 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.1933 -3.2114 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4085 -0.5817 -3.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2617 -1.0116 -3.9615 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0951 -0.3559 -1.6604 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1352 1.0352 -1.4613 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4752 -0.6848 -1.0342 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1052 0.3992 -0.5558 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1190 1.5286 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3494 1.7919 -1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8442 0.5470 -1.4074 C 0 0 1 0 0 0 0 0 0 0 0 0
14.8660 0.7183 -2.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9469 -0.9011 1.4459 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3544 0.2657 2.0676 C 0 0 1 0 0 0 0 0 0 0 0 0
17.3293 0.1712 3.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7190 -1.6280 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6613 -2.5297 2.9939 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7708 -2.4241 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4615 -3.4057 1.7623 O 0 0 0 0 0 0 0 0 0 0 0 0
24.5627 -0.5180 2.8858 H 0 0 0 0 0 0 0 0 0 0 0 0
22.9335 -0.3306 3.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
23.5315 0.8707 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
23.7051 -1.0381 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7390 0.4313 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2701 1.3036 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7470 1.9653 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4194 1.3841 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5313 0.3767 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5889 -0.8066 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3854 -1.5641 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5057 -1.2741 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5827 -0.9064 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3419 -0.9758 2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3953 1.9663 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8505 1.1458 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6769 2.5523 -0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2117 2.0223 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6072 -0.4864 -3.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6001 1.1307 -4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5956 0.0956 -4.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1937 1.3731 -2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0802 -1.6305 -2.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5709 0.9253 -3.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1097 1.2612 -4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5522 -2.4471 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7895 -2.7860 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 -2.5382 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9952 0.6508 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 -2.2918 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3468 -2.8260 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3477 -1.7797 -4.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7012 -3.0064 -3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0262 -2.8198 -3.8134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0366 0.0738 -3.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6228 -1.7780 -3.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3393 -0.1720 -3.9785 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8205 -0.6012 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8647 -1.9551 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5669 -0.7624 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2413 -1.1103 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2266 1.2049 2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9500 -0.2466 3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3022 0.6302 3.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6139 1.4511 2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9636 3.2852 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6973 2.4249 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2813 3.6951 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4333 4.0168 -0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6558 2.4759 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4605 3.1020 -1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.6344 2.2299 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4236 0.8768 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7090 1.7038 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5076 0.2319 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7863 -0.9555 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.0136 -1.8650 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.5880 -3.6342 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1780 -2.5167 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5781 -2.3691 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1250 -4.7295 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1870 -2.8240 3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.7428 -2.7639 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8042 -3.9789 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.0012 -4.0803 2.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1937 1.7728 2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.7369 2.6625 3.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9767 4.1211 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5328 4.7904 3.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4012 5.0565 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2763 3.5038 2.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0222 0.8328 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8144 -0.3776 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0417 -0.1207 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3232 -1.2107 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3219 -1.7324 2.9673 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7753 -0.7922 4.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3670 -2.5116 2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9178 -4.3529 2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1423 -3.4747 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6781 -4.0710 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3034 1.8177 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6436 2.2522 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5866 1.4199 -2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6667 2.9231 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9304 0.8340 -2.7969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0686 -0.2269 -4.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0847 1.5326 -2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4770 0.1415 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1589 1.3366 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9691 1.7428 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5332 2.5027 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9977 -0.0336 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3852 0.9783 -3.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5567 1.5658 -2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4602 -0.2272 -2.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6465 1.0761 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9841 -0.8482 3.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5697 0.8678 3.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2920 0.4409 4.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
19.8831 -1.6994 3.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6339 -3.3414 3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
29 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 1 0 0 0 0
58 68 1 0 0 0 0
68 69 1 0 0 0 0
68 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
54 73 1 0 0 0 0
73 74 1 0 0 0 0
73 75 1 0 0 0 0
49 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 1 0 0 0 0
78 80 1 0 0 0 0
45 81 1 0 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
39 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 2 0 0 0 0
85 87 1 0 0 0 0
87 88 1 1 0 0 0
21 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
15 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
9 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
4 98 1 0 0 0 0
98 99 2 0 0 0 0
99100 1 0 0 0 0
100101 2 0 0 0 0
100 2 1 0 0 0 0
96 6 1 0 0 0 0
93 11 1 0 0 0 0
90 17 1 0 0 0 0
32 22 1 0 0 0 0
87 36 1 0 0 0 0
31 25 1 0 0 0 0
83 42 1 0 0 0 0
87 28 1 0 0 0 0
80 47 1 0 0 0 0
75 51 1 0 0 0 0
72 56 1 0 0 0 0
67 60 1 0 0 0 0
1102 1 0 0 0 0
1103 1 0 0 0 0
1104 1 0 0 0 0
2105 1 6 0 0 0
4106 1 1 0 0 0
6107 1 1 0 0 0
7108 1 0 0 0 0
7109 1 0 0 0 0
8110 1 0 0 0 0
8111 1 0 0 0 0
9112 1 6 0 0 0
11113 1 6 0 0 0
12114 1 6 0 0 0
13115 1 0 0 0 0
14116 1 0 0 0 0
14117 1 0 0 0 0
15118 1 1 0 0 0
17119 1 6 0 0 0
18120 1 1 0 0 0
19121 1 0 0 0 0
20122 1 0 0 0 0
20123 1 0 0 0 0
21124 1 6 0 0 0
23125 1 0 0 0 0
24126 1 0 0 0 0
33127 1 0 0 0 0
34128 1 0 0 0 0
35129 1 0 0 0 0
37130 1 0 0 0 0
38131 1 0 0 0 0
38132 1 0 0 0 0
40133 1 0 0 0 0
40134 1 0 0 0 0
40135 1 0 0 0 0
42136 1 6 0 0 0
43137 1 0 0 0 0
43138 1 0 0 0 0
44139 1 0 0 0 0
44140 1 0 0 0 0
45141 1 1 0 0 0
47142 1 1 0 0 0
48143 1 0 0 0 0
48144 1 0 0 0 0
49145 1 1 0 0 0
51146 1 1 0 0 0
52147 1 0 0 0 0
52148 1 0 0 0 0
53149 1 0 0 0 0
53150 1 0 0 0 0
54151 1 6 0 0 0
56152 1 6 0 0 0
57153 1 0 0 0 0
57154 1 0 0 0 0
58155 1 6 0 0 0
60156 1 6 0 0 0
61157 1 0 0 0 0
61158 1 0 0 0 0
62159 1 0 0 0 0
62160 1 0 0 0 0
63161 1 1 0 0 0
64162 1 0 0 0 0
65163 1 1 0 0 0
66164 1 0 0 0 0
66165 1 0 0 0 0
66166 1 0 0 0 0
68167 1 1 0 0 0
69168 1 0 0 0 0
70169 1 6 0 0 0
71170 1 0 0 0 0
71171 1 0 0 0 0
71172 1 0 0 0 0
73173 1 6 0 0 0
74174 1 0 0 0 0
74175 1 0 0 0 0
74176 1 0 0 0 0
76177 1 1 0 0 0
77178 1 0 0 0 0
78179 1 1 0 0 0
79180 1 0 0 0 0
79181 1 0 0 0 0
79182 1 0 0 0 0
81183 1 1 0 0 0
82184 1 0 0 0 0
82185 1 0 0 0 0
82186 1 0 0 0 0
84187 1 0 0 0 0
84188 1 0 0 0 0
88189 1 0 0 0 0
90190 1 1 0 0 0
91191 1 0 0 0 0
91192 1 0 0 0 0
91193 1 0 0 0 0
93194 1 6 0 0 0
94195 1 0 0 0 0
94196 1 0 0 0 0
94197 1 0 0 0 0
96198 1 1 0 0 0
97199 1 0 0 0 0
97200 1 0 0 0 0
97201 1 0 0 0 0
98202 1 0 0 0 0
99203 1 0 0 0 0
M END
3D MOL for NP0005819 (Saquayamycin Z)
RDKit 3D
203215 0 0 0 0 0 0 0 0999 V2000
23.5205 -0.2095 2.6194 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9777 -1.0614 1.4890 C 0 0 2 0 0 0 0 0 0 0 0 0
21.7887 -0.5041 1.0636 O 0 0 0 0 0 0 0 0 0 0 0 0
20.7466 -0.5470 1.9359 C 0 0 1 0 0 0 0 0 0 0 0 0
19.5018 -0.5642 1.2948 O 0 0 0 0 0 0 0 0 0 0 0 0
18.7441 0.5766 1.5397 C 0 0 1 0 0 0 0 0 0 0 0 0
18.4832 1.1473 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8218 -0.0177 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6406 -0.5541 0.1020 C 0 0 2 0 0 0 0 0 0 0 0 0
15.5715 0.2999 0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3612 -0.2084 -0.2263 C 0 0 1 0 0 0 0 0 0 0 0 0
13.3858 -0.1755 0.9386 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9783 -0.5487 2.1342 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7015 1.1790 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1767 1.5905 -0.3179 C 0 0 2 0 0 0 0 0 0 0 0 0
11.4447 0.5171 -0.8332 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2517 0.9305 -1.3940 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1103 0.4548 -2.8290 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6550 1.4447 -3.6457 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6395 0.3505 -3.1738 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9468 -0.6111 -2.2750 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4644 -0.4287 -2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9020 0.4186 -3.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5450 0.6126 -3.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7466 -0.0662 -2.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 0.0902 -2.4632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9022 0.8601 -3.3125 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5313 -0.5892 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1565 -1.4134 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4635 -1.5548 -0.6522 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2581 -0.9212 -1.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6492 -1.0953 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1679 -1.9620 -0.4792 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2673 -2.1258 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0219 -1.9919 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -1.1244 -0.7111 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4588 -0.1903 0.0932 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8440 -1.9199 -1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6117 -1.2235 -2.4476 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9790 -2.3134 -3.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8307 -0.7878 -1.9554 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5647 -0.0558 -2.8621 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8284 -0.8155 -3.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7860 -0.9012 -2.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2828 -0.1077 -0.8405 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.4184 0.1172 -0.0288 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2435 -0.6057 1.1444 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5299 0.1265 2.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9993 0.0071 2.7199 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6860 0.3189 1.5538 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6504 1.2733 1.8426 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.4358 2.5900 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6971 3.2337 0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6090 2.2012 -0.0244 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.8903 2.2782 0.4938 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.8479 2.7879 -0.3335 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.9183 1.7697 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.6286 1.4163 0.6649 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5010 0.0367 0.8414 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.7318 -0.5774 0.8625 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.9635 -1.4978 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0520 -2.6981 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.5369 -2.9077 1.0815 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2526 -4.2798 1.2169 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.5843 -2.5433 2.0749 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.8094 -3.4013 1.8703 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.9714 -1.2091 2.0545 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.1074 2.1908 1.8365 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.0741 2.1270 2.8781 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.9716 3.6376 1.4938 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.0057 4.2696 2.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5038 3.8947 0.2209 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.0561 0.8377 0.1551 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.8893 -0.2327 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8748 0.6742 1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2467 -1.4740 3.0849 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.8872 -1.6277 4.4116 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3498 -2.3128 2.2269 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.0364 -3.6362 1.9677 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1208 -1.7191 0.9845 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7838 1.2042 -1.3259 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0064 2.0324 -1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9474 1.1797 -2.4098 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.1933 -3.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4085 -0.5817 -3.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2617 -1.0116 -3.9615 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0951 -0.3559 -1.6604 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1352 1.0352 -1.4613 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4752 -0.6848 -1.0342 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1052 0.3992 -0.5558 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1190 1.5286 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3494 1.7919 -1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8442 0.5470 -1.4074 C 0 0 1 0 0 0 0 0 0 0 0 0
14.8660 0.7183 -2.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9469 -0.9011 1.4459 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3544 0.2657 2.0676 C 0 0 1 0 0 0 0 0 0 0 0 0
17.3293 0.1712 3.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7190 -1.6280 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6613 -2.5297 2.9939 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7708 -2.4241 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4615 -3.4057 1.7623 O 0 0 0 0 0 0 0 0 0 0 0 0
24.5627 -0.5180 2.8858 H 0 0 0 0 0 0 0 0 0 0 0 0
22.9335 -0.3306 3.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
23.5315 0.8707 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
23.7051 -1.0381 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7390 0.4313 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2701 1.3036 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7470 1.9653 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4194 1.3841 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5313 0.3767 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5889 -0.8066 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3854 -1.5641 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5057 -1.2741 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5827 -0.9064 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3419 -0.9758 2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3953 1.9663 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8505 1.1458 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6769 2.5523 -0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2117 2.0223 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6072 -0.4864 -3.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6001 1.1307 -4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5956 0.0956 -4.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1937 1.3731 -2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0802 -1.6305 -2.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5709 0.9253 -3.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1097 1.2612 -4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5522 -2.4471 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7895 -2.7860 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 -2.5382 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9952 0.6508 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 -2.2918 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3468 -2.8260 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3477 -1.7797 -4.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7012 -3.0064 -3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0262 -2.8198 -3.8134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0366 0.0738 -3.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6228 -1.7780 -3.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3393 -0.1720 -3.9785 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8205 -0.6012 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8647 -1.9551 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5669 -0.7624 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2413 -1.1103 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2266 1.2049 2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9500 -0.2466 3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3022 0.6302 3.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6139 1.4511 2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9636 3.2852 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6973 2.4249 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2813 3.6951 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4333 4.0168 -0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6558 2.4759 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4605 3.1020 -1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.6344 2.2299 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4236 0.8768 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7090 1.7038 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5076 0.2319 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7863 -0.9555 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.0136 -1.8650 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.5880 -3.6342 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1780 -2.5167 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5781 -2.3691 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1250 -4.7295 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1870 -2.8240 3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.7428 -2.7639 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8042 -3.9789 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.0012 -4.0803 2.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1937 1.7728 2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.7369 2.6625 3.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9767 4.1211 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5328 4.7904 3.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4012 5.0565 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2763 3.5038 2.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0222 0.8328 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8144 -0.3776 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0417 -0.1207 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3232 -1.2107 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3219 -1.7324 2.9673 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7753 -0.7922 4.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3670 -2.5116 2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9178 -4.3529 2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1423 -3.4747 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6781 -4.0710 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3034 1.8177 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6436 2.2522 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5866 1.4199 -2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6667 2.9231 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9304 0.8340 -2.7969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0686 -0.2269 -4.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0847 1.5326 -2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4770 0.1415 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1589 1.3366 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9691 1.7428 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5332 2.5027 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9977 -0.0336 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3852 0.9783 -3.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5567 1.5658 -2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4602 -0.2272 -2.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6465 1.0761 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9841 -0.8482 3.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5697 0.8678 3.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2920 0.4409 4.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
19.8831 -1.6994 3.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6339 -3.3414 3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
26 28 1 0
28 29 2 0
29 30 1 0
30 31 1 0
31 32 2 0
32 33 1 0
29 34 1 0
34 35 2 0
35 36 1 0
36 37 1 1
36 38 1 0
38 39 1 0
39 40 1 0
39 41 1 1
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
63 65 1 0
65 66 1 0
65 67 1 0
58 68 1 0
68 69 1 0
68 70 1 0
70 71 1 0
70 72 1 0
54 73 1 0
73 74 1 0
73 75 1 0
49 76 1 0
76 77 1 0
76 78 1 0
78 79 1 0
78 80 1 0
45 81 1 0
81 82 1 0
81 83 1 0
39 84 1 0
84 85 1 0
85 86 2 0
85 87 1 0
87 88 1 1
21 89 1 0
89 90 1 0
90 91 1 0
15 92 1 0
92 93 1 0
93 94 1 0
9 95 1 0
95 96 1 0
96 97 1 0
4 98 1 0
98 99 2 0
99100 1 0
100101 2 0
100 2 1 0
96 6 1 0
93 11 1 0
90 17 1 0
32 22 1 0
87 36 1 0
31 25 1 0
83 42 1 0
87 28 1 0
80 47 1 0
75 51 1 0
72 56 1 0
67 60 1 0
1102 1 0
1103 1 0
1104 1 0
2105 1 6
4106 1 1
6107 1 1
7108 1 0
7109 1 0
8110 1 0
8111 1 0
9112 1 6
11113 1 6
12114 1 6
13115 1 0
14116 1 0
14117 1 0
15118 1 1
17119 1 6
18120 1 1
19121 1 0
20122 1 0
20123 1 0
21124 1 6
23125 1 0
24126 1 0
33127 1 0
34128 1 0
35129 1 0
37130 1 0
38131 1 0
38132 1 0
40133 1 0
40134 1 0
40135 1 0
42136 1 6
43137 1 0
43138 1 0
44139 1 0
44140 1 0
45141 1 1
47142 1 1
48143 1 0
48144 1 0
49145 1 1
51146 1 1
52147 1 0
52148 1 0
53149 1 0
53150 1 0
54151 1 6
56152 1 6
57153 1 0
57154 1 0
58155 1 6
60156 1 6
61157 1 0
61158 1 0
62159 1 0
62160 1 0
63161 1 1
64162 1 0
65163 1 1
66164 1 0
66165 1 0
66166 1 0
68167 1 1
69168 1 0
70169 1 6
71170 1 0
71171 1 0
71172 1 0
73173 1 6
74174 1 0
74175 1 0
74176 1 0
76177 1 1
77178 1 0
78179 1 1
79180 1 0
79181 1 0
79182 1 0
81183 1 1
82184 1 0
82185 1 0
82186 1 0
84187 1 0
84188 1 0
88189 1 0
90190 1 1
91191 1 0
91192 1 0
91193 1 0
93194 1 6
94195 1 0
94196 1 0
94197 1 0
96198 1 1
97199 1 0
97200 1 0
97201 1 0
98202 1 0
99203 1 0
M END
3D SDF for NP0005819 (Saquayamycin Z)
Mrv1652307012118053D
203215 0 0 0 0 999 V2000
23.5205 -0.2095 2.6194 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9777 -1.0614 1.4890 C 0 0 2 0 0 0 0 0 0 0 0 0
21.7887 -0.5041 1.0636 O 0 0 0 0 0 0 0 0 0 0 0 0
20.7466 -0.5470 1.9359 C 0 0 1 0 0 0 0 0 0 0 0 0
19.5018 -0.5642 1.2948 O 0 0 0 0 0 0 0 0 0 0 0 0
18.7441 0.5766 1.5397 C 0 0 1 0 0 0 0 0 0 0 0 0
18.4832 1.1473 0.1317 C 0 0 1 0 0 0 0 0 0 0 0 0
17.8218 -0.0177 -0.6111 C 0 0 1 0 0 0 0 0 0 0 0 0
16.6406 -0.5541 0.1020 C 0 0 2 0 0 0 0 0 0 0 0 0
15.5715 0.2999 0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3612 -0.2084 -0.2263 C 0 0 1 0 0 0 0 0 0 0 0 0
13.3858 -0.1755 0.9386 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9783 -0.5487 2.1342 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7015 1.1790 1.0308 C 0 0 2 0 0 0 0 0 0 0 0 0
12.1767 1.5905 -0.3179 C 0 0 2 0 0 0 0 0 0 0 0 0
11.4447 0.5171 -0.8332 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2517 0.9305 -1.3940 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1103 0.4548 -2.8290 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6550 1.4447 -3.6457 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6395 0.3505 -3.1738 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9468 -0.6111 -2.2750 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4644 -0.4287 -2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9020 0.4186 -3.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5450 0.6126 -3.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7466 -0.0662 -2.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 0.0902 -2.4632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9022 0.8601 -3.3125 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5313 -0.5892 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1565 -1.4134 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4635 -1.5548 -0.6522 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2581 -0.9212 -1.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6492 -1.0953 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1679 -1.9620 -0.4792 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2673 -2.1258 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0219 -1.9919 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -1.1244 -0.7111 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4588 -0.1903 0.0932 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8440 -1.9199 -1.4019 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6117 -1.2235 -2.4476 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9790 -2.3134 -3.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8307 -0.7878 -1.9554 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5647 -0.0558 -2.8621 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8284 -0.8155 -3.1932 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.7860 -0.9012 -2.0569 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2828 -0.1077 -0.8405 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.4184 0.1172 -0.0288 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2435 -0.6057 1.1444 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5299 0.1265 2.4031 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.9993 0.0071 2.7199 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6860 0.3189 1.5538 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6504 1.2733 1.8426 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.4358 2.5900 1.1410 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6971 3.2337 0.6482 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.6090 2.2012 -0.0244 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.8903 2.2782 0.4938 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.8479 2.7879 -0.3335 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.9183 1.7697 -0.6132 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.6286 1.4163 0.6649 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5010 0.0367 0.8414 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.7318 -0.5774 0.8625 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.9635 -1.4978 -0.3285 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.0520 -2.6981 -0.3180 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5369 -2.9077 1.0815 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2526 -4.2798 1.2169 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.5843 -2.5433 2.0749 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.8094 -3.4013 1.8703 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.9714 -1.2091 2.0545 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.1074 2.1908 1.8365 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.0741 2.1270 2.8781 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.9716 3.6376 1.4938 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.0057 4.2696 2.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5038 3.8947 0.2209 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.0561 0.8377 0.1551 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.8893 -0.2327 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8748 0.6742 1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2467 -1.4740 3.0849 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.8872 -1.6277 4.4116 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3498 -2.3128 2.2269 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.0364 -3.6362 1.9677 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1208 -1.7191 0.9845 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7838 1.2042 -1.3259 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0064 2.0324 -1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9474 1.1797 -2.4098 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.1933 -3.2114 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4085 -0.5817 -3.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2617 -1.0116 -3.9615 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0951 -0.3559 -1.6604 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1352 1.0352 -1.4613 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4752 -0.6848 -1.0342 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1052 0.3992 -0.5558 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1190 1.5286 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3494 1.7919 -1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8442 0.5470 -1.4074 C 0 0 1 0 0 0 0 0 0 0 0 0
14.8660 0.7183 -2.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9469 -0.9011 1.4459 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3544 0.2657 2.0676 C 0 0 1 0 0 0 0 0 0 0 0 0
17.3293 0.1712 3.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7190 -1.6280 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6613 -2.5297 2.9939 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7708 -2.4241 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4615 -3.4057 1.7623 O 0 0 0 0 0 0 0 0 0 0 0 0
24.5627 -0.5180 2.8858 H 0 0 0 0 0 0 0 0 0 0 0 0
22.9335 -0.3306 3.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
23.5315 0.8707 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
23.7051 -1.0381 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7390 0.4313 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2701 1.3036 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7470 1.9653 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4194 1.3841 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5313 0.3767 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5889 -0.8066 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3854 -1.5641 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5057 -1.2741 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5827 -0.9064 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3419 -0.9758 2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3953 1.9663 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8505 1.1458 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6769 2.5523 -0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2117 2.0223 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6072 -0.4864 -3.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6001 1.1307 -4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5956 0.0956 -4.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1937 1.3731 -2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0802 -1.6305 -2.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5709 0.9253 -3.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1097 1.2612 -4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5522 -2.4471 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7895 -2.7860 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 -2.5382 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9952 0.6508 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 -2.2918 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3468 -2.8260 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3477 -1.7797 -4.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7012 -3.0064 -3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0262 -2.8198 -3.8134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0366 0.0738 -3.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6228 -1.7780 -3.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3393 -0.1720 -3.9785 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8205 -0.6012 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8647 -1.9551 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5669 -0.7624 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2413 -1.1103 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2266 1.2049 2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9500 -0.2466 3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3022 0.6302 3.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6139 1.4511 2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9636 3.2852 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6973 2.4249 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2813 3.6951 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4333 4.0168 -0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6558 2.4759 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4605 3.1020 -1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.6344 2.2299 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4236 0.8768 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7090 1.7038 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5076 0.2319 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7863 -0.9555 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.0136 -1.8650 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.5880 -3.6342 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1780 -2.5167 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5781 -2.3691 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1250 -4.7295 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1870 -2.8240 3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.7428 -2.7639 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8042 -3.9789 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.0012 -4.0803 2.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1937 1.7728 2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.7369 2.6625 3.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9767 4.1211 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5328 4.7904 3.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4012 5.0565 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2763 3.5038 2.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0222 0.8328 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8144 -0.3776 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0417 -0.1207 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3232 -1.2107 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3219 -1.7324 2.9673 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7753 -0.7922 4.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3670 -2.5116 2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9178 -4.3529 2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1423 -3.4747 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6781 -4.0710 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3034 1.8177 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6436 2.2522 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5866 1.4199 -2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6667 2.9231 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9304 0.8340 -2.7969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0686 -0.2269 -4.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0847 1.5326 -2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4770 0.1415 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1589 1.3366 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9691 1.7428 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5332 2.5027 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9977 -0.0336 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3852 0.9783 -3.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5567 1.5658 -2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4602 -0.2272 -2.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6465 1.0761 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9841 -0.8482 3.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5697 0.8678 3.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2920 0.4409 4.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
19.8831 -1.6994 3.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6339 -3.3414 3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
29 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 1 0 0 0 0
58 68 1 0 0 0 0
68 69 1 0 0 0 0
68 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
54 73 1 0 0 0 0
73 74 1 0 0 0 0
73 75 1 0 0 0 0
49 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 1 0 0 0 0
78 80 1 0 0 0 0
45 81 1 0 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
39 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 2 0 0 0 0
85 87 1 0 0 0 0
87 88 1 1 0 0 0
21 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
15 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
9 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
4 98 1 0 0 0 0
98 99 2 0 0 0 0
99100 1 0 0 0 0
100101 2 0 0 0 0
100 2 1 0 0 0 0
96 6 1 0 0 0 0
93 11 1 0 0 0 0
90 17 1 0 0 0 0
32 22 1 0 0 0 0
87 36 1 0 0 0 0
31 25 1 0 0 0 0
83 42 1 0 0 0 0
87 28 1 0 0 0 0
80 47 1 0 0 0 0
75 51 1 0 0 0 0
72 56 1 0 0 0 0
67 60 1 0 0 0 0
1102 1 0 0 0 0
1103 1 0 0 0 0
1104 1 0 0 0 0
2105 1 6 0 0 0
4106 1 1 0 0 0
6107 1 1 0 0 0
7108 1 0 0 0 0
7109 1 0 0 0 0
8110 1 0 0 0 0
8111 1 0 0 0 0
9112 1 6 0 0 0
11113 1 6 0 0 0
12114 1 6 0 0 0
13115 1 0 0 0 0
14116 1 0 0 0 0
14117 1 0 0 0 0
15118 1 1 0 0 0
17119 1 6 0 0 0
18120 1 1 0 0 0
19121 1 0 0 0 0
20122 1 0 0 0 0
20123 1 0 0 0 0
21124 1 6 0 0 0
23125 1 0 0 0 0
24126 1 0 0 0 0
33127 1 0 0 0 0
34128 1 0 0 0 0
35129 1 0 0 0 0
37130 1 0 0 0 0
38131 1 0 0 0 0
38132 1 0 0 0 0
40133 1 0 0 0 0
40134 1 0 0 0 0
40135 1 0 0 0 0
42136 1 6 0 0 0
43137 1 0 0 0 0
43138 1 0 0 0 0
44139 1 0 0 0 0
44140 1 0 0 0 0
45141 1 1 0 0 0
47142 1 1 0 0 0
48143 1 0 0 0 0
48144 1 0 0 0 0
49145 1 1 0 0 0
51146 1 1 0 0 0
52147 1 0 0 0 0
52148 1 0 0 0 0
53149 1 0 0 0 0
53150 1 0 0 0 0
54151 1 6 0 0 0
56152 1 6 0 0 0
57153 1 0 0 0 0
57154 1 0 0 0 0
58155 1 6 0 0 0
60156 1 6 0 0 0
61157 1 0 0 0 0
61158 1 0 0 0 0
62159 1 0 0 0 0
62160 1 0 0 0 0
63161 1 1 0 0 0
64162 1 0 0 0 0
65163 1 1 0 0 0
66164 1 0 0 0 0
66165 1 0 0 0 0
66166 1 0 0 0 0
68167 1 1 0 0 0
69168 1 0 0 0 0
70169 1 6 0 0 0
71170 1 0 0 0 0
71171 1 0 0 0 0
71172 1 0 0 0 0
73173 1 6 0 0 0
74174 1 0 0 0 0
74175 1 0 0 0 0
74176 1 0 0 0 0
76177 1 1 0 0 0
77178 1 0 0 0 0
78179 1 1 0 0 0
79180 1 0 0 0 0
79181 1 0 0 0 0
79182 1 0 0 0 0
81183 1 1 0 0 0
82184 1 0 0 0 0
82185 1 0 0 0 0
82186 1 0 0 0 0
84187 1 0 0 0 0
84188 1 0 0 0 0
88189 1 0 0 0 0
90190 1 1 0 0 0
91191 1 0 0 0 0
91192 1 0 0 0 0
91193 1 0 0 0 0
93194 1 6 0 0 0
94195 1 0 0 0 0
94196 1 0 0 0 0
94197 1 0 0 0 0
96198 1 1 0 0 0
97199 1 0 0 0 0
97200 1 0 0 0 0
97201 1 0 0 0 0
98202 1 0 0 0 0
99203 1 0 0 0 0
M END
> <DATABASE_ID>
NP0005819
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C2OC3=C(C(=O)C2=C([H])C([H])=C1[C@]1([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C(=O)C([H])=C5[H])C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]([H])(O[H])C2([H])[H])[C@]([H])(O[H])C1([H])[H])[C@@]1(O[H])C(=O)C([H])([H])[C@@](O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]6([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]7([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C7([H])[H])C6([H])[H])C([H])([H])C5([H])[H])C4([H])[H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[C@@]1(O[H])C([H])=C3[H]
> <INCHI_IDENTIFIER>
InChI=1S/C72H102O29/c1-31-42(73)13-18-54(85-31)93-46-16-21-57(88-33(46)3)99-68-39(9)92-59(26-45(68)76)100-67-38(8)84-50(25-44(67)75)40-11-12-41-65(80)62-49(98-69(41)66(40)81)23-24-71(82)30-70(10,29-53(77)72(62,71)83)101-58-22-17-48(35(5)89-58)95-61-28-52(64(79)37(7)91-61)97-56-20-15-47(34(4)87-56)94-60-27-51(63(78)36(6)90-60)96-55-19-14-43(74)32(2)86-55/h11-13,18,23-24,31-39,43-48,50-52,54-61,63-64,67-68,74-76,78-79,81-83H,14-17,19-22,25-30H2,1-10H3/t31-,32-,33-,34-,35-,36+,37+,38+,39-,43-,44+,45-,46-,47-,48-,50+,51+,52+,54-,55-,56-,57-,58-,59-,60-,61-,63+,64+,67+,68+,70-,71-,72-/m0/s1
> <INCHI_KEY>
HXKIEUQACANSNK-SBCHTQRNSA-N
> <FORMULA>
C72H102O29
> <MOLECULAR_WEIGHT>
1431.579
> <EXACT_MASS>
1430.650677264
> <JCHEM_ACCEPTOR_COUNT>
29
> <JCHEM_ATOM_COUNT>
203
> <JCHEM_AVERAGE_POLARIZABILITY>
153.18371427704398
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
8
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(7aR,9R,11aS)-4,7a,11a-trihydroxy-9-{[(2S,5S,6S)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-[(2R,4R,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2S,5S,6S)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]-9-methyl-8,9,10,11,11a,12-hexahydro-7aH-5-oxatetraphene-11,12-dione
> <ALOGPS_LOGP>
1.98
> <JCHEM_LOGP>
4.4497676450000005
> <ALOGPS_LOGS>
-4.48
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
13
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.10250190349882
> <JCHEM_PKA_STRONGEST_ACIDIC>
8.680933791483753
> <JCHEM_PKA_STRONGEST_BASIC>
-3.1508467822767194
> <JCHEM_POLAR_SURFACE_AREA>
379.19000000000005
> <JCHEM_REFRACTIVITY>
348.9357999999998
> <JCHEM_ROTATABLE_BOND_COUNT>
17
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
4.79e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(7aR,9R,11aS)-4,7a,11a-trihydroxy-9-{[(2S,5S,6S)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-[(2R,4R,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2S,5S,6S)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxo-2,6-dihydropyran-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]-9-methyl-8,10-dihydro-5-oxatetraphene-11,12-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0005819 (Saquayamycin Z)
RDKit 3D
203215 0 0 0 0 0 0 0 0999 V2000
23.5205 -0.2095 2.6194 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9777 -1.0614 1.4890 C 0 0 2 0 0 0 0 0 0 0 0 0
21.7887 -0.5041 1.0636 O 0 0 0 0 0 0 0 0 0 0 0 0
20.7466 -0.5470 1.9359 C 0 0 1 0 0 0 0 0 0 0 0 0
19.5018 -0.5642 1.2948 O 0 0 0 0 0 0 0 0 0 0 0 0
18.7441 0.5766 1.5397 C 0 0 1 0 0 0 0 0 0 0 0 0
18.4832 1.1473 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8218 -0.0177 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6406 -0.5541 0.1020 C 0 0 2 0 0 0 0 0 0 0 0 0
15.5715 0.2999 0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3612 -0.2084 -0.2263 C 0 0 1 0 0 0 0 0 0 0 0 0
13.3858 -0.1755 0.9386 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9783 -0.5487 2.1342 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7015 1.1790 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1767 1.5905 -0.3179 C 0 0 2 0 0 0 0 0 0 0 0 0
11.4447 0.5171 -0.8332 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2517 0.9305 -1.3940 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1103 0.4548 -2.8290 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6550 1.4447 -3.6457 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6395 0.3505 -3.1738 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9468 -0.6111 -2.2750 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4644 -0.4287 -2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9020 0.4186 -3.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5450 0.6126 -3.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7466 -0.0662 -2.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 0.0902 -2.4632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9022 0.8601 -3.3125 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5313 -0.5892 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1565 -1.4134 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4635 -1.5548 -0.6522 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2581 -0.9212 -1.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6492 -1.0953 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1679 -1.9620 -0.4792 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2673 -2.1258 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0219 -1.9919 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -1.1244 -0.7111 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4588 -0.1903 0.0932 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8440 -1.9199 -1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6117 -1.2235 -2.4476 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9790 -2.3134 -3.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8307 -0.7878 -1.9554 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5647 -0.0558 -2.8621 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8284 -0.8155 -3.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7860 -0.9012 -2.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2828 -0.1077 -0.8405 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.4184 0.1172 -0.0288 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2435 -0.6057 1.1444 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5299 0.1265 2.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9993 0.0071 2.7199 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6860 0.3189 1.5538 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6504 1.2733 1.8426 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.4358 2.5900 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6971 3.2337 0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6090 2.2012 -0.0244 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.8903 2.2782 0.4938 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.8479 2.7879 -0.3335 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.9183 1.7697 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.6286 1.4163 0.6649 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5010 0.0367 0.8414 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.7318 -0.5774 0.8625 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.9635 -1.4978 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0520 -2.6981 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.5369 -2.9077 1.0815 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2526 -4.2798 1.2169 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.5843 -2.5433 2.0749 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.8094 -3.4013 1.8703 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.9714 -1.2091 2.0545 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.1074 2.1908 1.8365 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.0741 2.1270 2.8781 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.9716 3.6376 1.4938 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.0057 4.2696 2.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5038 3.8947 0.2209 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.0561 0.8377 0.1551 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.8893 -0.2327 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8748 0.6742 1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2467 -1.4740 3.0849 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.8872 -1.6277 4.4116 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3498 -2.3128 2.2269 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.0364 -3.6362 1.9677 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1208 -1.7191 0.9845 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7838 1.2042 -1.3259 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0064 2.0324 -1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9474 1.1797 -2.4098 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.1933 -3.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4085 -0.5817 -3.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2617 -1.0116 -3.9615 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0951 -0.3559 -1.6604 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1352 1.0352 -1.4613 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4752 -0.6848 -1.0342 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1052 0.3992 -0.5558 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1190 1.5286 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3494 1.7919 -1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8442 0.5470 -1.4074 C 0 0 1 0 0 0 0 0 0 0 0 0
14.8660 0.7183 -2.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9469 -0.9011 1.4459 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3544 0.2657 2.0676 C 0 0 1 0 0 0 0 0 0 0 0 0
17.3293 0.1712 3.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7190 -1.6280 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6613 -2.5297 2.9939 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7708 -2.4241 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4615 -3.4057 1.7623 O 0 0 0 0 0 0 0 0 0 0 0 0
24.5627 -0.5180 2.8858 H 0 0 0 0 0 0 0 0 0 0 0 0
22.9335 -0.3306 3.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
23.5315 0.8707 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
23.7051 -1.0381 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7390 0.4313 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2701 1.3036 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7470 1.9653 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4194 1.3841 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5313 0.3767 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5889 -0.8066 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3854 -1.5641 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5057 -1.2741 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5827 -0.9064 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3419 -0.9758 2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3953 1.9663 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8505 1.1458 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6769 2.5523 -0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2117 2.0223 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6072 -0.4864 -3.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6001 1.1307 -4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5956 0.0956 -4.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1937 1.3731 -2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0802 -1.6305 -2.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5709 0.9253 -3.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1097 1.2612 -4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5522 -2.4471 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7895 -2.7860 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 -2.5382 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9952 0.6508 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 -2.2918 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3468 -2.8260 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3477 -1.7797 -4.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7012 -3.0064 -3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0262 -2.8198 -3.8134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0366 0.0738 -3.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6228 -1.7780 -3.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3393 -0.1720 -3.9785 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8205 -0.6012 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8647 -1.9551 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5669 -0.7624 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2413 -1.1103 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2266 1.2049 2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9500 -0.2466 3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3022 0.6302 3.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6139 1.4511 2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9636 3.2852 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6973 2.4249 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2813 3.6951 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4333 4.0168 -0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6558 2.4759 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4605 3.1020 -1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.6344 2.2299 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4236 0.8768 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7090 1.7038 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5076 0.2319 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7863 -0.9555 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.0136 -1.8650 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.5880 -3.6342 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1780 -2.5167 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5781 -2.3691 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1250 -4.7295 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1870 -2.8240 3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.7428 -2.7639 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8042 -3.9789 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.0012 -4.0803 2.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1937 1.7728 2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.7369 2.6625 3.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9767 4.1211 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5328 4.7904 3.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4012 5.0565 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2763 3.5038 2.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0222 0.8328 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8144 -0.3776 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0417 -0.1207 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3232 -1.2107 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3219 -1.7324 2.9673 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7753 -0.7922 4.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3670 -2.5116 2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9178 -4.3529 2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1423 -3.4747 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6781 -4.0710 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3034 1.8177 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6436 2.2522 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5866 1.4199 -2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6667 2.9231 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9304 0.8340 -2.7969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0686 -0.2269 -4.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0847 1.5326 -2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4770 0.1415 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1589 1.3366 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9691 1.7428 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5332 2.5027 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9977 -0.0336 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3852 0.9783 -3.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5567 1.5658 -2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4602 -0.2272 -2.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6465 1.0761 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9841 -0.8482 3.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5697 0.8678 3.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2920 0.4409 4.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
19.8831 -1.6994 3.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6339 -3.3414 3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
26 28 1 0
28 29 2 0
29 30 1 0
30 31 1 0
31 32 2 0
32 33 1 0
29 34 1 0
34 35 2 0
35 36 1 0
36 37 1 1
36 38 1 0
38 39 1 0
39 40 1 0
39 41 1 1
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
63 65 1 0
65 66 1 0
65 67 1 0
58 68 1 0
68 69 1 0
68 70 1 0
70 71 1 0
70 72 1 0
54 73 1 0
73 74 1 0
73 75 1 0
49 76 1 0
76 77 1 0
76 78 1 0
78 79 1 0
78 80 1 0
45 81 1 0
81 82 1 0
81 83 1 0
39 84 1 0
84 85 1 0
85 86 2 0
85 87 1 0
87 88 1 1
21 89 1 0
89 90 1 0
90 91 1 0
15 92 1 0
92 93 1 0
93 94 1 0
9 95 1 0
95 96 1 0
96 97 1 0
4 98 1 0
98 99 2 0
99100 1 0
100101 2 0
100 2 1 0
96 6 1 0
93 11 1 0
90 17 1 0
32 22 1 0
87 36 1 0
31 25 1 0
83 42 1 0
87 28 1 0
80 47 1 0
75 51 1 0
72 56 1 0
67 60 1 0
1102 1 0
1103 1 0
1104 1 0
2105 1 6
4106 1 1
6107 1 1
7108 1 0
7109 1 0
8110 1 0
8111 1 0
9112 1 6
11113 1 6
12114 1 6
13115 1 0
14116 1 0
14117 1 0
15118 1 1
17119 1 6
18120 1 1
19121 1 0
20122 1 0
20123 1 0
21124 1 6
23125 1 0
24126 1 0
33127 1 0
34128 1 0
35129 1 0
37130 1 0
38131 1 0
38132 1 0
40133 1 0
40134 1 0
40135 1 0
42136 1 6
43137 1 0
43138 1 0
44139 1 0
44140 1 0
45141 1 1
47142 1 1
48143 1 0
48144 1 0
49145 1 1
51146 1 1
52147 1 0
52148 1 0
53149 1 0
53150 1 0
54151 1 6
56152 1 6
57153 1 0
57154 1 0
58155 1 6
60156 1 6
61157 1 0
61158 1 0
62159 1 0
62160 1 0
63161 1 1
64162 1 0
65163 1 1
66164 1 0
66165 1 0
66166 1 0
68167 1 1
69168 1 0
70169 1 6
71170 1 0
71171 1 0
71172 1 0
73173 1 6
74174 1 0
74175 1 0
74176 1 0
76177 1 1
77178 1 0
78179 1 1
79180 1 0
79181 1 0
79182 1 0
81183 1 1
82184 1 0
82185 1 0
82186 1 0
84187 1 0
84188 1 0
88189 1 0
90190 1 1
91191 1 0
91192 1 0
91193 1 0
93194 1 6
94195 1 0
94196 1 0
94197 1 0
96198 1 1
97199 1 0
97200 1 0
97201 1 0
98202 1 0
99203 1 0
M END
PDB for NP0005819 (Saquayamycin Z)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 23.520 -0.210 2.619 0.00 0.00 C+0 HETATM 2 C UNK 0 22.978 -1.061 1.489 0.00 0.00 C+0 HETATM 3 O UNK 0 21.789 -0.504 1.064 0.00 0.00 O+0 HETATM 4 C UNK 0 20.747 -0.547 1.936 0.00 0.00 C+0 HETATM 5 O UNK 0 19.502 -0.564 1.295 0.00 0.00 O+0 HETATM 6 C UNK 0 18.744 0.577 1.540 0.00 0.00 C+0 HETATM 7 C UNK 0 18.483 1.147 0.132 0.00 0.00 C+0 HETATM 8 C UNK 0 17.822 -0.018 -0.611 0.00 0.00 C+0 HETATM 9 C UNK 0 16.641 -0.554 0.102 0.00 0.00 C+0 HETATM 10 O UNK 0 15.572 0.300 0.167 0.00 0.00 O+0 HETATM 11 C UNK 0 14.361 -0.208 -0.226 0.00 0.00 C+0 HETATM 12 C UNK 0 13.386 -0.176 0.939 0.00 0.00 C+0 HETATM 13 O UNK 0 13.978 -0.549 2.134 0.00 0.00 O+0 HETATM 14 C UNK 0 12.701 1.179 1.031 0.00 0.00 C+0 HETATM 15 C UNK 0 12.177 1.591 -0.318 0.00 0.00 C+0 HETATM 16 O UNK 0 11.445 0.517 -0.833 0.00 0.00 O+0 HETATM 17 C UNK 0 10.252 0.931 -1.394 0.00 0.00 C+0 HETATM 18 C UNK 0 10.110 0.455 -2.829 0.00 0.00 C+0 HETATM 19 O UNK 0 10.655 1.445 -3.646 0.00 0.00 O+0 HETATM 20 C UNK 0 8.640 0.351 -3.174 0.00 0.00 C+0 HETATM 21 C UNK 0 7.947 -0.611 -2.275 0.00 0.00 C+0 HETATM 22 C UNK 0 6.464 -0.429 -2.318 0.00 0.00 C+0 HETATM 23 C UNK 0 5.902 0.419 -3.255 0.00 0.00 C+0 HETATM 24 C UNK 0 4.545 0.613 -3.328 0.00 0.00 C+0 HETATM 25 C UNK 0 3.747 -0.066 -2.437 0.00 0.00 C+0 HETATM 26 C UNK 0 2.363 0.090 -2.463 0.00 0.00 C+0 HETATM 27 O UNK 0 1.902 0.860 -3.313 0.00 0.00 O+0 HETATM 28 C UNK 0 1.531 -0.589 -1.570 0.00 0.00 C+0 HETATM 29 C UNK 0 2.156 -1.413 -0.672 0.00 0.00 C+0 HETATM 30 O UNK 0 3.463 -1.555 -0.652 0.00 0.00 O+0 HETATM 31 C UNK 0 4.258 -0.921 -1.487 0.00 0.00 C+0 HETATM 32 C UNK 0 5.649 -1.095 -1.440 0.00 0.00 C+0 HETATM 33 O UNK 0 6.168 -1.962 -0.479 0.00 0.00 O+0 HETATM 34 C UNK 0 1.267 -2.126 0.258 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.022 -1.992 0.238 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.738 -1.124 -0.711 0.00 0.00 C+0 HETATM 37 O UNK 0 -1.459 -0.190 0.093 0.00 0.00 O+0 HETATM 38 C UNK 0 -1.844 -1.920 -1.402 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.612 -1.224 -2.448 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.979 -2.313 -3.492 0.00 0.00 C+0 HETATM 41 O UNK 0 -3.831 -0.788 -1.955 0.00 0.00 O+0 HETATM 42 C UNK 0 -4.565 -0.056 -2.862 0.00 0.00 C+0 HETATM 43 C UNK 0 -5.828 -0.816 -3.193 0.00 0.00 C+0 HETATM 44 C UNK 0 -6.786 -0.901 -2.057 0.00 0.00 C+0 HETATM 45 C UNK 0 -6.283 -0.108 -0.841 0.00 0.00 C+0 HETATM 46 O UNK 0 -7.418 0.117 -0.029 0.00 0.00 O+0 HETATM 47 C UNK 0 -7.244 -0.606 1.144 0.00 0.00 C+0 HETATM 48 C UNK 0 -7.530 0.127 2.403 0.00 0.00 C+0 HETATM 49 C UNK 0 -8.999 0.007 2.720 0.00 0.00 C+0 HETATM 50 O UNK 0 -9.686 0.319 1.554 0.00 0.00 O+0 HETATM 51 C UNK 0 -10.650 1.273 1.843 0.00 0.00 C+0 HETATM 52 C UNK 0 -10.436 2.590 1.141 0.00 0.00 C+0 HETATM 53 C UNK 0 -11.697 3.234 0.648 0.00 0.00 C+0 HETATM 54 C UNK 0 -12.609 2.201 -0.024 0.00 0.00 C+0 HETATM 55 O UNK 0 -13.890 2.278 0.494 0.00 0.00 O+0 HETATM 56 C UNK 0 -14.848 2.788 -0.334 0.00 0.00 C+0 HETATM 57 C UNK 0 -15.918 1.770 -0.613 0.00 0.00 C+0 HETATM 58 C UNK 0 -16.629 1.416 0.665 0.00 0.00 C+0 HETATM 59 O UNK 0 -16.501 0.037 0.841 0.00 0.00 O+0 HETATM 60 C UNK 0 -17.732 -0.577 0.863 0.00 0.00 C+0 HETATM 61 C UNK 0 -17.963 -1.498 -0.329 0.00 0.00 C+0 HETATM 62 C UNK 0 -17.052 -2.698 -0.318 0.00 0.00 C+0 HETATM 63 C UNK 0 -16.537 -2.908 1.081 0.00 0.00 C+0 HETATM 64 O UNK 0 -16.253 -4.280 1.217 0.00 0.00 O+0 HETATM 65 C UNK 0 -17.584 -2.543 2.075 0.00 0.00 C+0 HETATM 66 C UNK 0 -18.809 -3.401 1.870 0.00 0.00 C+0 HETATM 67 O UNK 0 -17.971 -1.209 2.054 0.00 0.00 O+0 HETATM 68 C UNK 0 -16.107 2.191 1.837 0.00 0.00 C+0 HETATM 69 O UNK 0 -17.074 2.127 2.878 0.00 0.00 O+0 HETATM 70 C UNK 0 -15.972 3.638 1.494 0.00 0.00 C+0 HETATM 71 C UNK 0 -15.006 4.270 2.481 0.00 0.00 C+0 HETATM 72 O UNK 0 -15.504 3.895 0.221 0.00 0.00 O+0 HETATM 73 C UNK 0 -12.056 0.838 0.155 0.00 0.00 C+0 HETATM 74 C UNK 0 -12.889 -0.233 -0.436 0.00 0.00 C+0 HETATM 75 O UNK 0 -11.875 0.674 1.551 0.00 0.00 O+0 HETATM 76 C UNK 0 -9.247 -1.474 3.085 0.00 0.00 C+0 HETATM 77 O UNK 0 -8.887 -1.628 4.412 0.00 0.00 O+0 HETATM 78 C UNK 0 -8.350 -2.313 2.227 0.00 0.00 C+0 HETATM 79 C UNK 0 -9.036 -3.636 1.968 0.00 0.00 C+0 HETATM 80 O UNK 0 -8.121 -1.719 0.985 0.00 0.00 O+0 HETATM 81 C UNK 0 -5.784 1.204 -1.326 0.00 0.00 C+0 HETATM 82 C UNK 0 -7.006 2.032 -1.737 0.00 0.00 C+0 HETATM 83 O UNK 0 -4.947 1.180 -2.410 0.00 0.00 O+0 HETATM 84 C UNK 0 -1.863 -0.193 -3.211 0.00 0.00 C+0 HETATM 85 C UNK 0 -0.409 -0.582 -3.076 0.00 0.00 C+0 HETATM 86 O UNK 0 0.262 -1.012 -3.962 0.00 0.00 O+0 HETATM 87 C UNK 0 0.095 -0.356 -1.660 0.00 0.00 C+0 HETATM 88 O UNK 0 -0.135 1.035 -1.461 0.00 0.00 O+0 HETATM 89 O UNK 0 8.475 -0.685 -1.034 0.00 0.00 O+0 HETATM 90 C UNK 0 9.105 0.399 -0.556 0.00 0.00 C+0 HETATM 91 C UNK 0 8.119 1.529 -0.339 0.00 0.00 C+0 HETATM 92 O UNK 0 13.349 1.792 -1.110 0.00 0.00 O+0 HETATM 93 C UNK 0 13.844 0.547 -1.407 0.00 0.00 C+0 HETATM 94 C UNK 0 14.866 0.718 -2.505 0.00 0.00 C+0 HETATM 95 O UNK 0 16.947 -0.901 1.446 0.00 0.00 O+0 HETATM 96 C UNK 0 17.354 0.266 2.068 0.00 0.00 C+0 HETATM 97 C UNK 0 17.329 0.171 3.570 0.00 0.00 C+0 HETATM 98 C UNK 0 20.719 -1.628 2.917 0.00 0.00 C+0 HETATM 99 C UNK 0 21.661 -2.530 2.994 0.00 0.00 C+0 HETATM 100 C UNK 0 22.771 -2.424 2.050 0.00 0.00 C+0 HETATM 101 O UNK 0 23.462 -3.406 1.762 0.00 0.00 O+0 HETATM 102 H UNK 0 24.563 -0.518 2.886 0.00 0.00 H+0 HETATM 103 H UNK 0 22.933 -0.331 3.553 0.00 0.00 H+0 HETATM 104 H UNK 0 23.532 0.871 2.381 0.00 0.00 H+0 HETATM 105 H UNK 0 23.705 -1.038 0.658 0.00 0.00 H+0 HETATM 106 H UNK 0 20.739 0.431 2.514 0.00 0.00 H+0 HETATM 107 H UNK 0 19.270 1.304 2.188 0.00 0.00 H+0 HETATM 108 H UNK 0 17.747 1.965 0.163 0.00 0.00 H+0 HETATM 109 H UNK 0 19.419 1.384 -0.382 0.00 0.00 H+0 HETATM 110 H UNK 0 17.531 0.377 -1.596 0.00 0.00 H+0 HETATM 111 H UNK 0 18.589 -0.807 -0.821 0.00 0.00 H+0 HETATM 112 H UNK 0 16.385 -1.564 -0.342 0.00 0.00 H+0 HETATM 113 H UNK 0 14.506 -1.274 -0.508 0.00 0.00 H+0 HETATM 114 H UNK 0 12.583 -0.906 0.712 0.00 0.00 H+0 HETATM 115 H UNK 0 13.342 -0.976 2.761 0.00 0.00 H+0 HETATM 116 H UNK 0 13.395 1.966 1.438 0.00 0.00 H+0 HETATM 117 H UNK 0 11.851 1.146 1.737 0.00 0.00 H+0 HETATM 118 H UNK 0 11.677 2.552 -0.359 0.00 0.00 H+0 HETATM 119 H UNK 0 10.212 2.022 -1.329 0.00 0.00 H+0 HETATM 120 H UNK 0 10.607 -0.486 -3.047 0.00 0.00 H+0 HETATM 121 H UNK 0 10.600 1.131 -4.587 0.00 0.00 H+0 HETATM 122 H UNK 0 8.596 0.096 -4.254 0.00 0.00 H+0 HETATM 123 H UNK 0 8.194 1.373 -2.968 0.00 0.00 H+0 HETATM 124 H UNK 0 8.080 -1.631 -2.800 0.00 0.00 H+0 HETATM 125 H UNK 0 6.571 0.925 -3.951 0.00 0.00 H+0 HETATM 126 H UNK 0 4.110 1.261 -4.047 0.00 0.00 H+0 HETATM 127 H UNK 0 5.552 -2.447 0.159 0.00 0.00 H+0 HETATM 128 H UNK 0 1.790 -2.786 0.976 0.00 0.00 H+0 HETATM 129 H UNK 0 -0.620 -2.538 0.951 0.00 0.00 H+0 HETATM 130 H UNK 0 -0.995 0.651 0.192 0.00 0.00 H+0 HETATM 131 H UNK 0 -2.479 -2.292 -0.551 0.00 0.00 H+0 HETATM 132 H UNK 0 -1.347 -2.826 -1.818 0.00 0.00 H+0 HETATM 133 H UNK 0 -3.348 -1.780 -4.370 0.00 0.00 H+0 HETATM 134 H UNK 0 -3.701 -3.006 -3.063 0.00 0.00 H+0 HETATM 135 H UNK 0 -2.026 -2.820 -3.813 0.00 0.00 H+0 HETATM 136 H UNK 0 -4.037 0.074 -3.836 0.00 0.00 H+0 HETATM 137 H UNK 0 -5.623 -1.778 -3.680 0.00 0.00 H+0 HETATM 138 H UNK 0 -6.339 -0.172 -3.978 0.00 0.00 H+0 HETATM 139 H UNK 0 -7.821 -0.601 -2.326 0.00 0.00 H+0 HETATM 140 H UNK 0 -6.865 -1.955 -1.718 0.00 0.00 H+0 HETATM 141 H UNK 0 -5.567 -0.762 -0.348 0.00 0.00 H+0 HETATM 142 H UNK 0 -6.241 -1.110 1.207 0.00 0.00 H+0 HETATM 143 H UNK 0 -7.227 1.205 2.299 0.00 0.00 H+0 HETATM 144 H UNK 0 -6.950 -0.247 3.274 0.00 0.00 H+0 HETATM 145 H UNK 0 -9.302 0.630 3.592 0.00 0.00 H+0 HETATM 146 H UNK 0 -10.614 1.451 2.957 0.00 0.00 H+0 HETATM 147 H UNK 0 -9.964 3.285 1.866 0.00 0.00 H+0 HETATM 148 H UNK 0 -9.697 2.425 0.331 0.00 0.00 H+0 HETATM 149 H UNK 0 -12.281 3.695 1.456 0.00 0.00 H+0 HETATM 150 H UNK 0 -11.433 4.017 -0.077 0.00 0.00 H+0 HETATM 151 H UNK 0 -12.656 2.476 -1.091 0.00 0.00 H+0 HETATM 152 H UNK 0 -14.460 3.102 -1.330 0.00 0.00 H+0 HETATM 153 H UNK 0 -16.634 2.230 -1.342 0.00 0.00 H+0 HETATM 154 H UNK 0 -15.424 0.877 -1.082 0.00 0.00 H+0 HETATM 155 H UNK 0 -17.709 1.704 0.568 0.00 0.00 H+0 HETATM 156 H UNK 0 -18.508 0.232 0.744 0.00 0.00 H+0 HETATM 157 H UNK 0 -17.786 -0.956 -1.276 0.00 0.00 H+0 HETATM 158 H UNK 0 -19.014 -1.865 -0.265 0.00 0.00 H+0 HETATM 159 H UNK 0 -17.588 -3.634 -0.637 0.00 0.00 H+0 HETATM 160 H UNK 0 -16.178 -2.517 -0.987 0.00 0.00 H+0 HETATM 161 H UNK 0 -15.578 -2.369 1.235 0.00 0.00 H+0 HETATM 162 H UNK 0 -16.125 -4.729 0.357 0.00 0.00 H+0 HETATM 163 H UNK 0 -17.187 -2.824 3.088 0.00 0.00 H+0 HETATM 164 H UNK 0 -19.743 -2.764 1.823 0.00 0.00 H+0 HETATM 165 H UNK 0 -18.804 -3.979 0.930 0.00 0.00 H+0 HETATM 166 H UNK 0 -19.001 -4.080 2.748 0.00 0.00 H+0 HETATM 167 H UNK 0 -15.194 1.773 2.299 0.00 0.00 H+0 HETATM 168 H UNK 0 -16.737 2.663 3.630 0.00 0.00 H+0 HETATM 169 H UNK 0 -16.977 4.121 1.570 0.00 0.00 H+0 HETATM 170 H UNK 0 -15.533 4.790 3.313 0.00 0.00 H+0 HETATM 171 H UNK 0 -14.401 5.056 1.944 0.00 0.00 H+0 HETATM 172 H UNK 0 -14.276 3.504 2.832 0.00 0.00 H+0 HETATM 173 H UNK 0 -11.022 0.833 -0.309 0.00 0.00 H+0 HETATM 174 H UNK 0 -13.814 -0.378 0.152 0.00 0.00 H+0 HETATM 175 H UNK 0 -13.042 -0.121 -1.522 0.00 0.00 H+0 HETATM 176 H UNK 0 -12.323 -1.211 -0.323 0.00 0.00 H+0 HETATM 177 H UNK 0 -10.322 -1.732 2.967 0.00 0.00 H+0 HETATM 178 H UNK 0 -8.775 -0.792 4.902 0.00 0.00 H+0 HETATM 179 H UNK 0 -7.367 -2.512 2.676 0.00 0.00 H+0 HETATM 180 H UNK 0 -8.918 -4.353 2.788 0.00 0.00 H+0 HETATM 181 H UNK 0 -10.142 -3.475 1.815 0.00 0.00 H+0 HETATM 182 H UNK 0 -8.678 -4.071 0.991 0.00 0.00 H+0 HETATM 183 H UNK 0 -5.303 1.818 -0.518 0.00 0.00 H+0 HETATM 184 H UNK 0 -7.644 2.252 -0.869 0.00 0.00 H+0 HETATM 185 H UNK 0 -7.587 1.420 -2.447 0.00 0.00 H+0 HETATM 186 H UNK 0 -6.667 2.923 -2.298 0.00 0.00 H+0 HETATM 187 H UNK 0 -1.930 0.834 -2.797 0.00 0.00 H+0 HETATM 188 H UNK 0 -2.069 -0.227 -4.302 0.00 0.00 H+0 HETATM 189 H UNK 0 -0.085 1.533 -2.312 0.00 0.00 H+0 HETATM 190 H UNK 0 9.477 0.142 0.478 0.00 0.00 H+0 HETATM 191 H UNK 0 7.159 1.337 -0.812 0.00 0.00 H+0 HETATM 192 H UNK 0 7.969 1.743 0.763 0.00 0.00 H+0 HETATM 193 H UNK 0 8.533 2.503 -0.737 0.00 0.00 H+0 HETATM 194 H UNK 0 12.998 -0.034 -1.863 0.00 0.00 H+0 HETATM 195 H UNK 0 14.385 0.978 -3.474 0.00 0.00 H+0 HETATM 196 H UNK 0 15.557 1.566 -2.298 0.00 0.00 H+0 HETATM 197 H UNK 0 15.460 -0.227 -2.635 0.00 0.00 H+0 HETATM 198 H UNK 0 16.646 1.076 1.730 0.00 0.00 H+0 HETATM 199 H UNK 0 16.984 -0.848 3.917 0.00 0.00 H+0 HETATM 200 H UNK 0 16.570 0.868 3.984 0.00 0.00 H+0 HETATM 201 H UNK 0 18.292 0.441 4.050 0.00 0.00 H+0 HETATM 202 H UNK 0 19.883 -1.699 3.624 0.00 0.00 H+0 HETATM 203 H UNK 0 21.634 -3.341 3.733 0.00 0.00 H+0 CONECT 1 2 102 103 104 CONECT 2 1 3 100 105 CONECT 3 2 4 CONECT 4 3 5 98 106 CONECT 5 4 6 CONECT 6 5 7 96 107 CONECT 7 6 8 108 109 CONECT 8 7 9 110 111 CONECT 9 8 10 95 112 CONECT 10 9 11 CONECT 11 10 12 93 113 CONECT 12 11 13 14 114 CONECT 13 12 115 CONECT 14 12 15 116 117 CONECT 15 14 16 92 118 CONECT 16 15 17 CONECT 17 16 18 90 119 CONECT 18 17 19 20 120 CONECT 19 18 121 CONECT 20 18 21 122 123 CONECT 21 20 22 89 124 CONECT 22 21 23 32 CONECT 23 22 24 125 CONECT 24 23 25 126 CONECT 25 24 26 31 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 87 CONECT 29 28 30 34 CONECT 30 29 31 CONECT 31 30 32 25 CONECT 32 31 33 22 CONECT 33 32 127 CONECT 34 29 35 128 CONECT 35 34 36 129 CONECT 36 35 37 38 87 CONECT 37 36 130 CONECT 38 36 39 131 132 CONECT 39 38 40 41 84 CONECT 40 39 133 134 135 CONECT 41 39 42 CONECT 42 41 43 83 136 CONECT 43 42 44 137 138 CONECT 44 43 45 139 140 CONECT 45 44 46 81 141 CONECT 46 45 47 CONECT 47 46 48 80 142 CONECT 48 47 49 143 144 CONECT 49 48 50 76 145 CONECT 50 49 51 CONECT 51 50 52 75 146 CONECT 52 51 53 147 148 CONECT 53 52 54 149 150 CONECT 54 53 55 73 151 CONECT 55 54 56 CONECT 56 55 57 72 152 CONECT 57 56 58 153 154 CONECT 58 57 59 68 155 CONECT 59 58 60 CONECT 60 59 61 67 156 CONECT 61 60 62 157 158 CONECT 62 61 63 159 160 CONECT 63 62 64 65 161 CONECT 64 63 162 CONECT 65 63 66 67 163 CONECT 66 65 164 165 166 CONECT 67 65 60 CONECT 68 58 69 70 167 CONECT 69 68 168 CONECT 70 68 71 72 169 CONECT 71 70 170 171 172 CONECT 72 70 56 CONECT 73 54 74 75 173 CONECT 74 73 174 175 176 CONECT 75 73 51 CONECT 76 49 77 78 177 CONECT 77 76 178 CONECT 78 76 79 80 179 CONECT 79 78 180 181 182 CONECT 80 78 47 CONECT 81 45 82 83 183 CONECT 82 81 184 185 186 CONECT 83 81 42 CONECT 84 39 85 187 188 CONECT 85 84 86 87 CONECT 86 85 CONECT 87 85 88 36 28 CONECT 88 87 189 CONECT 89 21 90 CONECT 90 89 91 17 190 CONECT 91 90 191 192 193 CONECT 92 15 93 CONECT 93 92 94 11 194 CONECT 94 93 195 196 197 CONECT 95 9 96 CONECT 96 95 97 6 198 CONECT 97 96 199 200 201 CONECT 98 4 99 202 CONECT 99 98 100 203 CONECT 100 99 101 2 CONECT 101 100 CONECT 102 1 CONECT 103 1 CONECT 104 1 CONECT 105 2 CONECT 106 4 CONECT 107 6 CONECT 108 7 CONECT 109 7 CONECT 110 8 CONECT 111 8 CONECT 112 9 CONECT 113 11 CONECT 114 12 CONECT 115 13 CONECT 116 14 CONECT 117 14 CONECT 118 15 CONECT 119 17 CONECT 120 18 CONECT 121 19 CONECT 122 20 CONECT 123 20 CONECT 124 21 CONECT 125 23 CONECT 126 24 CONECT 127 33 CONECT 128 34 CONECT 129 35 CONECT 130 37 CONECT 131 38 CONECT 132 38 CONECT 133 40 CONECT 134 40 CONECT 135 40 CONECT 136 42 CONECT 137 43 CONECT 138 43 CONECT 139 44 CONECT 140 44 CONECT 141 45 CONECT 142 47 CONECT 143 48 CONECT 144 48 CONECT 145 49 CONECT 146 51 CONECT 147 52 CONECT 148 52 CONECT 149 53 CONECT 150 53 CONECT 151 54 CONECT 152 56 CONECT 153 57 CONECT 154 57 CONECT 155 58 CONECT 156 60 CONECT 157 61 CONECT 158 61 CONECT 159 62 CONECT 160 62 CONECT 161 63 CONECT 162 64 CONECT 163 65 CONECT 164 66 CONECT 165 66 CONECT 166 66 CONECT 167 68 CONECT 168 69 CONECT 169 70 CONECT 170 71 CONECT 171 71 CONECT 172 71 CONECT 173 73 CONECT 174 74 CONECT 175 74 CONECT 176 74 CONECT 177 76 CONECT 178 77 CONECT 179 78 CONECT 180 79 CONECT 181 79 CONECT 182 79 CONECT 183 81 CONECT 184 82 CONECT 185 82 CONECT 186 82 CONECT 187 84 CONECT 188 84 CONECT 189 88 CONECT 190 90 CONECT 191 91 CONECT 192 91 CONECT 193 91 CONECT 194 93 CONECT 195 94 CONECT 196 94 CONECT 197 94 CONECT 198 96 CONECT 199 97 CONECT 200 97 CONECT 201 97 CONECT 202 98 CONECT 203 99 MASTER 0 0 0 0 0 0 0 0 203 0 430 0 END SMILES for NP0005819 (Saquayamycin Z)[H]OC1=C2OC3=C(C(=O)C2=C([H])C([H])=C1[C@]1([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C(=O)C([H])=C5[H])C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]([H])(O[H])C2([H])[H])[C@]([H])(O[H])C1([H])[H])[C@@]1(O[H])C(=O)C([H])([H])[C@@](O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]6([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]7([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C7([H])[H])C6([H])[H])C([H])([H])C5([H])[H])C4([H])[H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[C@@]1(O[H])C([H])=C3[H] INCHI for NP0005819 (Saquayamycin Z)InChI=1S/C72H102O29/c1-31-42(73)13-18-54(85-31)93-46-16-21-57(88-33(46)3)99-68-39(9)92-59(26-45(68)76)100-67-38(8)84-50(25-44(67)75)40-11-12-41-65(80)62-49(98-69(41)66(40)81)23-24-71(82)30-70(10,29-53(77)72(62,71)83)101-58-22-17-48(35(5)89-58)95-61-28-52(64(79)37(7)91-61)97-56-20-15-47(34(4)87-56)94-60-27-51(63(78)36(6)90-60)96-55-19-14-43(74)32(2)86-55/h11-13,18,23-24,31-39,43-48,50-52,54-61,63-64,67-68,74-76,78-79,81-83H,14-17,19-22,25-30H2,1-10H3/t31-,32-,33-,34-,35-,36+,37+,38+,39-,43-,44+,45-,46-,47-,48-,50+,51+,52+,54-,55-,56-,57-,58-,59-,60-,61-,63+,64+,67+,68+,70-,71-,72-/m0/s1 3D Structure for NP0005819 (Saquayamycin Z) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C72H102O29 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1431.5790 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1430.65068 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (7aR,9R,11aS)-4,7a,11a-trihydroxy-9-{[(2S,5S,6S)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-[(2R,4R,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2S,5S,6S)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]-9-methyl-8,9,10,11,11a,12-hexahydro-7aH-5-oxatetraphene-11,12-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (7aR,9R,11aS)-4,7a,11a-trihydroxy-9-{[(2S,5S,6S)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-[(2R,4R,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2S,5S,6S)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxo-2,6-dihydropyran-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]-9-methyl-8,10-dihydro-5-oxatetraphene-11,12-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@H](O[C@H]2CC[C@H](O[C@@H]3C[C@H](O[C@H]4CC[C@H](O[C@@]5(C)CC(=O)[C@]6(O)C7=C(OC8=C(C=CC([C@H]9C[C@@H](O)[C@H](O[C@H]%10C[C@H](O)C(O[C@H]%11CC[C@H](O[C@@H]%12O[C@@H](C)C(=O)C=C%12)[C@H](C)O%11)[C@H](C)O%10)[C@@H](C)O9)=C8O)C7=O)C=C[C@]6(O)C5)O[C@H]4C)O[C@H](C)[C@H]3O)O[C@H]2C)O[C@H](C)[C@H]1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C72H102O29/c1-31-42(73)13-18-54(85-31)93-46-16-21-57(88-33(46)3)99-68-39(9)92-59(26-45(68)76)100-67-38(8)84-50(25-44(67)75)40-11-12-41-65(80)62-49(98-69(41)66(40)81)23-24-71(82)30-70(10,29-53(77)72(62,71)83)101-58-22-17-48(35(5)89-58)95-61-28-52(64(79)37(7)91-61)97-56-20-15-47(34(4)87-56)94-60-27-51(63(78)36(6)90-60)96-55-19-14-43(74)32(2)86-55/h11-13,18,23-24,31-39,43-48,50-52,54-61,63-64,67-68,74-76,78-79,81-83H,14-17,19-22,25-30H2,1-10H3/t31-,32-,33-,34-,35-,36+,37+,38+,39-,43-,44+,45-,46-,47-,48-,50+,51+,52+,54-,55-,56-,57-,58-,59-,60-,61-,63+,64+,67+,68?,70-,71-,72-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | HXKIEUQACANSNK-SBCHTQRNSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organoheterocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Benzopyrans | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | 1-benzopyrans | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Xanthones | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA002196 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78436504 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139583709 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
