Showing NP-Card for Naphthomycin N (NP0010926)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 20:43:21 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:07:28 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0010926 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Naphthomycin N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Naphthomycin N is found in Streptomyces sp. CS. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0010926 (Naphthomycin N)
Mrv1652307012121353D
201206 0 0 0 0 999 V2000
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M END
3D MOL for NP0010926 (Naphthomycin N)
RDKit 3D
201206 0 0 0 0 0 0 0 0999 V2000
14.1236 0.1291 -1.8311 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9737 0.3600 -0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3268 -0.7014 -0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8174 -0.8555 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7467 -1.9718 1.0246 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6554 -2.4173 -0.2888 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5573 -1.3190 1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4095 -1.9531 1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2153 -3.2855 1.9471 C 0 0 2 0 0 0 0 0 0 0 0 0
9.2565 -4.3107 1.9659 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8621 -3.9227 1.5199 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9127 -4.4484 0.2657 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7201 -2.9359 1.7084 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3056 -2.5027 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5342 -3.4969 2.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8332 -2.8859 3.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4599 -3.4450 3.5876 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3621 -1.7682 4.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2832 -1.8098 5.3659 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9995 -0.5452 3.5706 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2036 -0.2702 4.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5998 -1.0328 5.3353 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0516 0.7229 3.8131 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3324 1.0328 4.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6313 1.4418 2.7288 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4406 1.1843 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5708 0.1884 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3650 0.1093 1.7096 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3552 -0.7203 1.8492 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9866 0.9829 0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5945 0.6368 0.1201 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3425 -0.4673 -0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0956 -0.3482 -1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3346 -0.3695 0.0069 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.0183 0.2157 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7039 0.1651 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4473 -0.7332 -2.8344 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6622 -2.1811 -2.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0183 -2.7466 -3.8060 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3760 -3.0210 -1.8713 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5883 -3.6456 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6746 -3.4144 -1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5467 -3.5870 -3.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7767 -3.0428 -3.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3160 -1.8389 -2.7171 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3736 -0.6356 -3.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6037 -0.4565 -4.7270 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.7988 0.6847 -5.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0216 -0.3505 -5.1374 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.2600 -1.2709 -6.1884 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0644 -0.5037 -4.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2822 0.7073 -3.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4429 1.6585 -3.5556 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2342 1.0344 -2.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.2071 2.2097 -2.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3994 0.4435 -1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6271 -0.6970 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7055 -0.3168 0.5880 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6963 0.3867 -0.0179 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3725 -1.5642 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2374 -1.6834 1.8887 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8474 -0.6564 2.8465 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8817 0.3221 3.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4887 -0.0357 2.6334 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6374 -0.8734 1.9245 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7746 0.4061 3.8775 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.0646 -0.4944 5.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2938 0.4222 3.7686 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5431 1.5280 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3048 1.5281 4.6278 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 2.6928 2.9723 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9094 3.8319 3.4680 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3748 2.5983 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5220 3.3517 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0308 4.1869 2.3300 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1852 3.3159 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4018 4.0592 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6521 2.4935 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5297 1.7317 -0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8095 1.7672 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6096 1.0251 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7255 0.8608 1.5474 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9490 0.9332 -1.7163 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8087 1.0848 -2.7206 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8336 1.9260 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6684 2.7636 -1.0573 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8589 2.2634 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9390 2.7778 -3.2216 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 1.3602 -2.9892 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2584 -0.0405 -3.3774 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0887 1.5663 -3.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6971 2.7818 -3.7224 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9206 3.8872 -3.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4758 3.9606 -1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5206 3.3124 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1818 2.1909 -1.9559 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7811 0.9202 -1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6943 2.3481 -1.9604 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9717 3.4962 -2.6961 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3036 2.3716 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6259 1.7045 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5642 2.4579 0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0627 2.0404 0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0780 2.8597 0.7959 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7405 0.2383 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5524 -0.8606 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8705 0.9144 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1550 -1.5307 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4240 0.1169 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6851 -1.0716 1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2316 -2.7209 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2318 -3.1991 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6217 -0.2940 2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5573 -1.3785 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9625 -3.1605 3.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7148 -5.2938 2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9115 -4.2253 2.8571 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7705 -4.5735 1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6950 -4.7469 2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7951 -4.9321 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1526 -2.0753 2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2119 -2.7444 0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8594 -3.0498 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4144 -1.4195 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2251 -4.5044 2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0956 -4.0432 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5478 -4.1834 4.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7475 -2.6802 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4666 -0.8357 5.7962 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1566 1.5363 5.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8886 0.0841 4.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9329 1.7325 3.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2589 2.2568 2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7783 1.1663 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0443 -0.4573 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4841 -1.4087 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2470 -1.2382 -1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1567 0.5123 -1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0168 -0.4845 -3.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1406 -4.5870 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6337 -3.9718 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6382 -3.0068 0.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9834 -3.6427 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2901 -4.3033 -3.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4324 -3.7270 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8333 -1.7843 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2762 0.2853 -2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1710 -1.3801 -5.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0319 0.7922 -6.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7019 0.4853 -5.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9704 1.6322 -4.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1686 0.6348 -5.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6144 -2.0400 -6.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8409 -1.4299 -3.5036 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0272 -0.7952 -4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4245 2.7003 -1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7578 2.9611 -3.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1422 1.8113 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1573 0.7992 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0172 -1.2403 -1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3129 -1.4799 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3841 0.3770 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0833 1.1965 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0833 -2.4202 1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5877 -2.5692 1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6601 -1.2636 3.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8667 1.2682 2.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6895 0.7285 4.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8868 -0.1251 3.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6798 0.9196 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9042 -1.0665 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1212 1.4174 4.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9230 -1.5581 4.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2566 -0.2350 5.8229 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9879 -0.2468 5.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7675 -0.5315 3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5038 2.1630 4.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9200 0.5069 4.6675 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 1.8500 5.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8529 4.7209 2.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9529 3.5766 -1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0916 4.0405 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1927 5.0950 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0837 2.4526 -1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3500 3.8123 -1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2216 0.0149 -3.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4631 -0.7006 -2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8822 -0.4296 -4.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7199 0.6470 -3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0816 2.8878 -4.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6384 4.8287 -3.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9922 4.6445 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9719 3.5714 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9072 2.0631 -3.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8549 1.0050 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6442 0.0606 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6110 0.5406 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1444 1.5006 -2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3908 3.3512 -3.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4116 3.4891 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6118 2.0583 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 1 0
5 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
11 13 1 0
13 14 1 0
13 15 1 0
15 16 2 0
16 17 1 0
16 18 1 0
18 19 2 0
18 20 1 0
20 21 2 0
21 22 1 0
21 23 1 0
23 24 1 0
23 25 2 0
25 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
28 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 2 0
36 37 1 0
37 38 1 0
38 39 2 0
38 40 1 0
40 41 1 0
40 42 2 0
42 43 1 0
43 44 2 0
44 45 1 0
45 46 2 0
46 47 1 0
47 48 1 0
47 49 1 0
49 50 1 0
49 51 1 0
51 52 1 0
52 53 2 0
52 54 1 0
54 55 1 0
54 56 2 0
56 57 1 0
57 58 1 0
58 59 1 0
58 60 1 0
60 61 2 0
61 62 1 0
62 63 1 0
62 64 1 0
64 65 1 0
64 66 1 0
66 67 1 0
66 68 1 0
68 69 2 0
69 70 1 0
69 71 1 0
71 72 2 0
71 73 1 0
73 74 1 0
74 75 1 0
74 76 2 0
76 77 1 0
76 78 1 0
78 79 2 0
79 80 1 0
80 81 1 0
81 82 2 0
79 83 1 0
83 84 2 0
30 85 2 0
85 86 1 0
86 87 1 0
87 88 2 0
87 89 1 0
89 90 1 0
89 91 2 0
91 92 1 0
92 93 2 0
93 94 1 0
94 95 2 0
95 96 1 0
96 97 1 0
96 98 1 0
98 99 1 0
98100 1 0
100101 1 0
101102 2 0
85103 1 0
103104 2 0
101 2 1 0
27 20 1 0
81 35 1 0
103 26 1 0
83 36 1 0
80 73 2 0
1105 1 0
1106 1 0
1107 1 0
3108 1 0
4109 1 0
4110 1 0
5111 1 1
6112 1 0
7113 1 0
8114 1 0
9115 1 1
10116 1 0
10117 1 0
10118 1 0
11119 1 1
12120 1 0
13121 1 1
14122 1 0
14123 1 0
14124 1 0
15125 1 0
17126 1 0
17127 1 0
17128 1 0
22129 1 0
24130 1 0
24131 1 0
24132 1 0
25133 1 0
31134 1 0
32135 1 0
32136 1 0
33137 1 0
33138 1 0
37139 1 0
41140 1 0
41141 1 0
41142 1 0
42143 1 0
43144 1 0
44145 1 0
45146 1 0
46147 1 0
47148 1 6
48149 1 0
48150 1 0
48151 1 0
49152 1 6
50153 1 0
51154 1 0
51155 1 0
55156 1 0
55157 1 0
55158 1 0
56159 1 0
57160 1 0
57161 1 0
58162 1 1
59163 1 0
60164 1 0
61165 1 0
62166 1 1
63167 1 0
63168 1 0
63169 1 0
64170 1 6
65171 1 0
66172 1 1
67173 1 0
67174 1 0
67175 1 0
68176 1 0
70177 1 0
70178 1 0
70179 1 0
75180 1 0
77181 1 0
77182 1 0
77183 1 0
78184 1 0
86185 1 0
90186 1 0
90187 1 0
90188 1 0
91189 1 0
92190 1 0
93191 1 0
94192 1 0
95193 1 0
96194 1 6
97195 1 0
97196 1 0
97197 1 0
98198 1 6
99199 1 0
100200 1 0
100201 1 0
M END
3D SDF for NP0010926 (Naphthomycin N)
Mrv1652307012121353D
201206 0 0 0 0 999 V2000
14.1236 0.1291 -1.8311 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9737 0.3600 -0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3268 -0.7014 -0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8174 -0.8555 0.9430 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7467 -1.9718 1.0246 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6554 -2.4173 -0.2888 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5573 -1.3190 1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4095 -1.9531 1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2153 -3.2855 1.9471 C 0 0 2 0 0 0 0 0 0 0 0 0
9.2565 -4.3107 1.9659 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8621 -3.9227 1.5199 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9127 -4.4484 0.2657 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7201 -2.9359 1.7084 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3056 -2.5027 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5342 -3.4969 2.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8332 -2.8859 3.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4599 -3.4450 3.5876 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3621 -1.7682 4.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2832 -1.8098 5.3659 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9995 -0.5452 3.5706 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2036 -0.2702 4.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5998 -1.0328 5.3353 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0516 0.7229 3.8131 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3324 1.0328 4.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6313 1.4418 2.7288 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4406 1.1843 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5708 0.1884 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3650 0.1093 1.7096 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3552 -0.7203 1.8492 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9866 0.9829 0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5945 0.6368 0.1201 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3425 -0.4673 -0.7576 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0956 -0.3482 -1.2114 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3346 -0.3695 0.0069 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.0183 0.2157 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7039 0.1651 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4473 -0.7332 -2.8344 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6622 -2.1811 -2.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0183 -2.7466 -3.8060 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3760 -3.0210 -1.8713 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5883 -3.6456 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6746 -3.4144 -1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5467 -3.5870 -3.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7767 -3.0428 -3.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3160 -1.8389 -2.7171 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3736 -0.6356 -3.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6037 -0.4565 -4.7270 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.7988 0.6847 -5.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0216 -0.3505 -5.1374 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.2600 -1.2709 -6.1884 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0644 -0.5037 -4.0574 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.2822 0.7073 -3.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4429 1.6585 -3.5556 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2342 1.0344 -2.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.2071 2.2097 -2.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3994 0.4435 -1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6271 -0.6970 -0.6025 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.7055 -0.3168 0.5880 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6963 0.3867 -0.0179 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3725 -1.5642 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2374 -1.6834 1.8887 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8474 -0.6564 2.8465 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8817 0.3221 3.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4887 -0.0357 2.6334 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6374 -0.8734 1.9245 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7746 0.4061 3.8775 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.0646 -0.4944 5.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2938 0.4222 3.7686 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5431 1.5280 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3048 1.5281 4.6278 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 2.6928 2.9723 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9094 3.8319 3.4680 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3748 2.5983 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5220 3.3517 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0308 4.1869 2.3300 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1852 3.3159 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4018 4.0592 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6521 2.4935 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5297 1.7317 -0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8095 1.7672 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6096 1.0251 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7255 0.8608 1.5474 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9490 0.9332 -1.7163 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8087 1.0848 -2.7206 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8336 1.9260 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6684 2.7636 -1.0573 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8589 2.2634 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9390 2.7778 -3.2216 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 1.3602 -2.9892 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2584 -0.0405 -3.3774 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0887 1.5663 -3.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6971 2.7818 -3.7224 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9206 3.8872 -3.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4758 3.9606 -1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5206 3.3124 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1818 2.1909 -1.9559 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7811 0.9202 -1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6943 2.3481 -1.9604 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9717 3.4962 -2.6961 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3036 2.3716 -0.5769 C 0 0 1 0 0 0 0 0 0 0 0 0
12.6259 1.7045 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5642 2.4579 0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0627 2.0404 0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0780 2.8597 0.7959 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7405 0.2383 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5524 -0.8606 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8705 0.9144 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1550 -1.5307 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4240 0.1169 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6851 -1.0716 1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2316 -2.7209 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2318 -3.1991 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6217 -0.2940 2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5573 -1.3785 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9625 -3.1605 3.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7148 -5.2938 2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9115 -4.2253 2.8571 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7705 -4.5735 1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6950 -4.7469 2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7951 -4.9321 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1526 -2.0753 2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2119 -2.7444 0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8594 -3.0498 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4144 -1.4195 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2251 -4.5044 2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0956 -4.0432 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5478 -4.1834 4.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7475 -2.6802 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4666 -0.8357 5.7962 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1566 1.5363 5.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8886 0.0841 4.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9329 1.7325 3.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2589 2.2568 2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7783 1.1663 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0443 -0.4573 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4841 -1.4087 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2470 -1.2382 -1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1567 0.5123 -1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0168 -0.4845 -3.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1406 -4.5870 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6337 -3.9718 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6382 -3.0068 0.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9834 -3.6427 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2901 -4.3033 -3.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4324 -3.7270 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8333 -1.7843 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2762 0.2853 -2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1710 -1.3801 -5.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0319 0.7922 -6.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7019 0.4853 -5.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9704 1.6322 -4.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1686 0.6348 -5.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6144 -2.0400 -6.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8409 -1.4299 -3.5036 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0272 -0.7952 -4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4245 2.7003 -1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7578 2.9611 -3.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1422 1.8113 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1573 0.7992 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0172 -1.2403 -1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3129 -1.4799 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3841 0.3770 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0833 1.1965 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0833 -2.4202 1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5877 -2.5692 1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6601 -1.2636 3.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8667 1.2682 2.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6895 0.7285 4.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8868 -0.1251 3.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6798 0.9196 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9042 -1.0665 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1212 1.4174 4.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9230 -1.5581 4.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2566 -0.2350 5.8229 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9879 -0.2468 5.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7675 -0.5315 3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5038 2.1630 4.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9200 0.5069 4.6675 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 1.8500 5.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8529 4.7209 2.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9529 3.5766 -1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0916 4.0405 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1927 5.0950 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0837 2.4526 -1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3500 3.8123 -1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2216 0.0149 -3.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4631 -0.7006 -2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8822 -0.4296 -4.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7199 0.6470 -3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0816 2.8878 -4.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6384 4.8287 -3.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9922 4.6445 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9719 3.5714 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9072 2.0631 -3.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8549 1.0050 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6442 0.0606 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6110 0.5406 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1444 1.5006 -2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3908 3.3512 -3.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4116 3.4891 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6118 2.0583 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
38 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 2 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
58 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
68 69 2 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
71 72 2 0 0 0 0
71 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 2 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 2 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 2 0 0 0 0
79 83 1 0 0 0 0
83 84 2 0 0 0 0
30 85 2 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 2 0 0 0 0
87 89 1 0 0 0 0
89 90 1 0 0 0 0
89 91 2 0 0 0 0
91 92 1 0 0 0 0
92 93 2 0 0 0 0
93 94 1 0 0 0 0
94 95 2 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
96 98 1 0 0 0 0
98 99 1 0 0 0 0
98100 1 0 0 0 0
100101 1 0 0 0 0
101102 2 0 0 0 0
85103 1 0 0 0 0
103104 2 0 0 0 0
101 2 1 0 0 0 0
27 20 1 0 0 0 0
81 35 1 0 0 0 0
103 26 1 0 0 0 0
83 36 1 0 0 0 0
80 73 2 0 0 0 0
1105 1 0 0 0 0
1106 1 0 0 0 0
1107 1 0 0 0 0
3108 1 0 0 0 0
4109 1 0 0 0 0
4110 1 0 0 0 0
5111 1 1 0 0 0
6112 1 0 0 0 0
7113 1 0 0 0 0
8114 1 0 0 0 0
9115 1 1 0 0 0
10116 1 0 0 0 0
10117 1 0 0 0 0
10118 1 0 0 0 0
11119 1 1 0 0 0
12120 1 0 0 0 0
13121 1 1 0 0 0
14122 1 0 0 0 0
14123 1 0 0 0 0
14124 1 0 0 0 0
15125 1 0 0 0 0
17126 1 0 0 0 0
17127 1 0 0 0 0
17128 1 0 0 0 0
22129 1 0 0 0 0
24130 1 0 0 0 0
24131 1 0 0 0 0
24132 1 0 0 0 0
25133 1 0 0 0 0
31134 1 0 0 0 0
32135 1 0 0 0 0
32136 1 0 0 0 0
33137 1 0 0 0 0
33138 1 0 0 0 0
37139 1 0 0 0 0
41140 1 0 0 0 0
41141 1 0 0 0 0
41142 1 0 0 0 0
42143 1 0 0 0 0
43144 1 0 0 0 0
44145 1 0 0 0 0
45146 1 0 0 0 0
46147 1 0 0 0 0
47148 1 6 0 0 0
48149 1 0 0 0 0
48150 1 0 0 0 0
48151 1 0 0 0 0
49152 1 6 0 0 0
50153 1 0 0 0 0
51154 1 0 0 0 0
51155 1 0 0 0 0
55156 1 0 0 0 0
55157 1 0 0 0 0
55158 1 0 0 0 0
56159 1 0 0 0 0
57160 1 0 0 0 0
57161 1 0 0 0 0
58162 1 1 0 0 0
59163 1 0 0 0 0
60164 1 0 0 0 0
61165 1 0 0 0 0
62166 1 1 0 0 0
63167 1 0 0 0 0
63168 1 0 0 0 0
63169 1 0 0 0 0
64170 1 6 0 0 0
65171 1 0 0 0 0
66172 1 1 0 0 0
67173 1 0 0 0 0
67174 1 0 0 0 0
67175 1 0 0 0 0
68176 1 0 0 0 0
70177 1 0 0 0 0
70178 1 0 0 0 0
70179 1 0 0 0 0
75180 1 0 0 0 0
77181 1 0 0 0 0
77182 1 0 0 0 0
77183 1 0 0 0 0
78184 1 0 0 0 0
86185 1 0 0 0 0
90186 1 0 0 0 0
90187 1 0 0 0 0
90188 1 0 0 0 0
91189 1 0 0 0 0
92190 1 0 0 0 0
93191 1 0 0 0 0
94192 1 0 0 0 0
95193 1 0 0 0 0
96194 1 6 0 0 0
97195 1 0 0 0 0
97196 1 0 0 0 0
97197 1 0 0 0 0
98198 1 6 0 0 0
99199 1 0 0 0 0
100200 1 0 0 0 0
100201 1 0 0 0 0
M END
> <DATABASE_ID>
NP0010926
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C2C3=C(C([H])=C1C([H])([H])[H])C(=O)C(N([H])C(=O)\C(=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C(=O)\C(=C([H])/C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(\C([H])=C(/C2=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])=C(N([H])C([H])([H])C([H])([H])SC1=C2N([H])C(=O)\C(=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C(=O)\C(=C([H])/C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(\C([H])=C(/C(=O)C4=C(C1=O)C(=C([H])C(=C4O[H])C([H])([H])[H])C2=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C3=O
> <INCHI_IDENTIFIER>
InChI=1S/C82H97N3O18S/c1-41-21-17-15-19-23-47(7)81(102)84-68-67(78(100)63-57(76(68)98)37-53(13)74(96)65(63)72(94)51(11)35-49(9)70(92)45(5)27-31-55(86)29-25-43(3)61(90)39-59(41)88)83-33-34-104-80-69-77(99)58-38-54(14)75(97)66(64(58)79(80)101)73(95)52(12)36-50(10)71(93)46(6)28-32-56(87)30-26-44(4)62(91)40-60(89)42(2)22-18-16-20-24-48(8)82(103)85-69/h15-28,31-32,35-38,41-42,45-46,49-50,55-56,59-60,70-71,83,86-89,92-93,96-97H,29-30,33-34,39-40H2,1-14H3,(H,84,102)(H,85,103)/b19-15-,20-16-,21-17-,22-18-,31-27-,32-28-,43-25-,44-26-,47-23-,48-24-,51-35-,52-36-/t41-,42-,45-,46-,49-,50-,55-,56-,59-,60-,70-,71-/m0/s1
> <INCHI_KEY>
VYEVYPKXBMGTHG-QDXHLQEBSA-N
> <FORMULA>
C82H97N3O18S
> <MOLECULAR_WEIGHT>
1444.74
> <EXACT_MASS>
1443.648784469
> <JCHEM_ACCEPTOR_COUNT>
19
> <JCHEM_ATOM_COUNT>
201
> <JCHEM_AVERAGE_POLARIZABILITY>
156.7079073927951
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
11
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-31-[(2-{[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1,3,5(33),7,12,16,22,24,26,30-decaen-31-yl]sulfanyl}ethyl)amino]-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
> <ALOGPS_LOGP>
5.36
> <JCHEM_LOGP>
9.690516722666668
> <ALOGPS_LOGS>
-6.04
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
5.7597603850156895
> <JCHEM_PKA_STRONGEST_ACIDIC>
5.157651071145528
> <JCHEM_PKA_STRONGEST_BASIC>
-0.5092392597092495
> <JCHEM_POLAR_SURFACE_AREA>
368.62999999999994
> <JCHEM_REFRACTIVITY>
420.9852999999997
> <JCHEM_ROTATABLE_BOND_COUNT>
5
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.31e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-31-[(2-{[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1,3,5(33),7,12,16,22,24,26,30-decaen-31-yl]sulfanyl}ethyl)amino]-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0010926 (Naphthomycin N)
RDKit 3D
201206 0 0 0 0 0 0 0 0999 V2000
14.1236 0.1291 -1.8311 C 0 0 0 0 0 0 0 0 0 0 0 0
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100200 1 0
100201 1 0
M END
PDB for NP0010926 (Naphthomycin N)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 14.124 0.129 -1.831 0.00 0.00 C+0 HETATM 2 C UNK 0 12.974 0.360 -0.867 0.00 0.00 C+0 HETATM 3 C UNK 0 12.327 -0.701 -0.416 0.00 0.00 C+0 HETATM 4 C UNK 0 11.817 -0.856 0.943 0.00 0.00 C+0 HETATM 5 C UNK 0 10.747 -1.972 1.025 0.00 0.00 C+0 HETATM 6 O UNK 0 10.655 -2.417 -0.289 0.00 0.00 O+0 HETATM 7 C UNK 0 9.557 -1.319 1.565 0.00 0.00 C+0 HETATM 8 C UNK 0 8.409 -1.953 1.496 0.00 0.00 C+0 HETATM 9 C UNK 0 8.215 -3.285 1.947 0.00 0.00 C+0 HETATM 10 C UNK 0 9.257 -4.311 1.966 0.00 0.00 C+0 HETATM 11 C UNK 0 6.862 -3.923 1.520 0.00 0.00 C+0 HETATM 12 O UNK 0 6.913 -4.448 0.266 0.00 0.00 O+0 HETATM 13 C UNK 0 5.720 -2.936 1.708 0.00 0.00 C+0 HETATM 14 C UNK 0 5.306 -2.503 0.288 0.00 0.00 C+0 HETATM 15 C UNK 0 4.534 -3.497 2.373 0.00 0.00 C+0 HETATM 16 C UNK 0 3.833 -2.886 3.339 0.00 0.00 C+0 HETATM 17 C UNK 0 2.460 -3.445 3.588 0.00 0.00 C+0 HETATM 18 C UNK 0 4.362 -1.768 4.114 0.00 0.00 C+0 HETATM 19 O UNK 0 4.283 -1.810 5.366 0.00 0.00 O+0 HETATM 20 C UNK 0 5.000 -0.545 3.571 0.00 0.00 C+0 HETATM 21 C UNK 0 6.204 -0.270 4.212 0.00 0.00 C+0 HETATM 22 O UNK 0 6.600 -1.033 5.335 0.00 0.00 O+0 HETATM 23 C UNK 0 7.052 0.723 3.813 0.00 0.00 C+0 HETATM 24 C UNK 0 8.332 1.033 4.454 0.00 0.00 C+0 HETATM 25 C UNK 0 6.631 1.442 2.729 0.00 0.00 C+0 HETATM 26 C UNK 0 5.441 1.184 2.091 0.00 0.00 C+0 HETATM 27 C UNK 0 4.571 0.188 2.480 0.00 0.00 C+0 HETATM 28 C UNK 0 3.365 0.109 1.710 0.00 0.00 C+0 HETATM 29 O UNK 0 2.355 -0.720 1.849 0.00 0.00 O+0 HETATM 30 C UNK 0 2.987 0.983 0.545 0.00 0.00 C+0 HETATM 31 N UNK 0 1.595 0.637 0.120 0.00 0.00 N+0 HETATM 32 C UNK 0 1.343 -0.467 -0.758 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.096 -0.348 -1.211 0.00 0.00 C+0 HETATM 34 S UNK 0 -1.335 -0.370 0.007 0.00 0.00 S+0 HETATM 35 C UNK 0 -3.018 0.216 -0.573 0.00 0.00 C+0 HETATM 36 C UNK 0 -3.704 0.165 -1.694 0.00 0.00 C+0 HETATM 37 N UNK 0 -3.447 -0.733 -2.834 0.00 0.00 N+0 HETATM 38 C UNK 0 -3.662 -2.181 -2.774 0.00 0.00 C+0 HETATM 39 O UNK 0 -3.018 -2.747 -3.806 0.00 0.00 O+0 HETATM 40 C UNK 0 -4.376 -3.021 -1.871 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.588 -3.646 -0.675 0.00 0.00 C+0 HETATM 42 C UNK 0 -5.675 -3.414 -1.909 0.00 0.00 C+0 HETATM 43 C UNK 0 -6.547 -3.587 -3.007 0.00 0.00 C+0 HETATM 44 C UNK 0 -7.777 -3.043 -3.204 0.00 0.00 C+0 HETATM 45 C UNK 0 -8.316 -1.839 -2.717 0.00 0.00 C+0 HETATM 46 C UNK 0 -8.374 -0.636 -3.292 0.00 0.00 C+0 HETATM 47 C UNK 0 -8.604 -0.457 -4.727 0.00 0.00 C+0 HETATM 48 C UNK 0 -7.799 0.685 -5.301 0.00 0.00 C+0 HETATM 49 C UNK 0 -10.022 -0.351 -5.137 0.00 0.00 C+0 HETATM 50 O UNK 0 -10.260 -1.271 -6.188 0.00 0.00 O+0 HETATM 51 C UNK 0 -11.064 -0.504 -4.057 0.00 0.00 C+0 HETATM 52 C UNK 0 -11.282 0.707 -3.264 0.00 0.00 C+0 HETATM 53 O UNK 0 -10.443 1.659 -3.556 0.00 0.00 O+0 HETATM 54 C UNK 0 -12.234 1.034 -2.246 0.00 0.00 C+0 HETATM 55 C UNK 0 -13.207 2.210 -2.445 0.00 0.00 C+0 HETATM 56 C UNK 0 -12.399 0.444 -1.063 0.00 0.00 C+0 HETATM 57 C UNK 0 -11.627 -0.697 -0.603 0.00 0.00 C+0 HETATM 58 C UNK 0 -10.706 -0.317 0.588 0.00 0.00 C+0 HETATM 59 O UNK 0 -9.696 0.387 -0.018 0.00 0.00 O+0 HETATM 60 C UNK 0 -10.373 -1.564 1.230 0.00 0.00 C+0 HETATM 61 C UNK 0 -9.237 -1.683 1.889 0.00 0.00 C+0 HETATM 62 C UNK 0 -8.847 -0.656 2.846 0.00 0.00 C+0 HETATM 63 C UNK 0 -9.882 0.322 3.272 0.00 0.00 C+0 HETATM 64 C UNK 0 -7.489 -0.036 2.633 0.00 0.00 C+0 HETATM 65 O UNK 0 -6.637 -0.873 1.925 0.00 0.00 O+0 HETATM 66 C UNK 0 -6.775 0.406 3.878 0.00 0.00 C+0 HETATM 67 C UNK 0 -7.065 -0.494 5.072 0.00 0.00 C+0 HETATM 68 C UNK 0 -5.294 0.422 3.769 0.00 0.00 C+0 HETATM 69 C UNK 0 -4.543 1.528 3.775 0.00 0.00 C+0 HETATM 70 C UNK 0 -3.305 1.528 4.628 0.00 0.00 C+0 HETATM 71 C UNK 0 -4.933 2.693 2.972 0.00 0.00 C+0 HETATM 72 O UNK 0 -4.909 3.832 3.468 0.00 0.00 O+0 HETATM 73 C UNK 0 -5.375 2.598 1.544 0.00 0.00 C+0 HETATM 74 C UNK 0 -6.522 3.352 1.317 0.00 0.00 C+0 HETATM 75 O UNK 0 -7.031 4.187 2.330 0.00 0.00 O+0 HETATM 76 C UNK 0 -7.185 3.316 0.130 0.00 0.00 C+0 HETATM 77 C UNK 0 -8.402 4.059 -0.188 0.00 0.00 C+0 HETATM 78 C UNK 0 -6.652 2.494 -0.808 0.00 0.00 C+0 HETATM 79 C UNK 0 -5.530 1.732 -0.627 0.00 0.00 C+0 HETATM 80 C UNK 0 -4.809 1.767 0.597 0.00 0.00 C+0 HETATM 81 C UNK 0 -3.610 1.025 0.576 0.00 0.00 C+0 HETATM 82 O UNK 0 -2.725 0.861 1.547 0.00 0.00 O+0 HETATM 83 C UNK 0 -4.949 0.933 -1.716 0.00 0.00 C+0 HETATM 84 O UNK 0 -5.809 1.085 -2.721 0.00 0.00 O+0 HETATM 85 C UNK 0 3.834 1.926 0.146 0.00 0.00 C+0 HETATM 86 N UNK 0 3.668 2.764 -1.057 0.00 0.00 N+0 HETATM 87 C UNK 0 3.859 2.263 -2.410 0.00 0.00 C+0 HETATM 88 O UNK 0 2.939 2.778 -3.222 0.00 0.00 O+0 HETATM 89 C UNK 0 4.800 1.360 -2.989 0.00 0.00 C+0 HETATM 90 C UNK 0 4.258 -0.041 -3.377 0.00 0.00 C+0 HETATM 91 C UNK 0 6.089 1.566 -3.272 0.00 0.00 C+0 HETATM 92 C UNK 0 6.697 2.782 -3.722 0.00 0.00 C+0 HETATM 93 C UNK 0 6.921 3.887 -3.051 0.00 0.00 C+0 HETATM 94 C UNK 0 7.476 3.961 -1.729 0.00 0.00 C+0 HETATM 95 C UNK 0 8.521 3.312 -1.260 0.00 0.00 C+0 HETATM 96 C UNK 0 9.182 2.191 -1.956 0.00 0.00 C+0 HETATM 97 C UNK 0 8.781 0.920 -1.229 0.00 0.00 C+0 HETATM 98 C UNK 0 10.694 2.348 -1.960 0.00 0.00 C+0 HETATM 99 O UNK 0 10.972 3.496 -2.696 0.00 0.00 O+0 HETATM 100 C UNK 0 11.304 2.372 -0.577 0.00 0.00 C+0 HETATM 101 C UNK 0 12.626 1.704 -0.485 0.00 0.00 C+0 HETATM 102 O UNK 0 13.564 2.458 0.003 0.00 0.00 O+0 HETATM 103 C UNK 0 5.063 2.040 0.919 0.00 0.00 C+0 HETATM 104 O UNK 0 6.078 2.860 0.796 0.00 0.00 O+0 HETATM 105 H UNK 0 13.741 0.238 -2.879 0.00 0.00 H+0 HETATM 106 H UNK 0 14.552 -0.861 -1.772 0.00 0.00 H+0 HETATM 107 H UNK 0 14.870 0.914 -1.597 0.00 0.00 H+0 HETATM 108 H UNK 0 12.155 -1.531 -1.116 0.00 0.00 H+0 HETATM 109 H UNK 0 11.424 0.117 1.304 0.00 0.00 H+0 HETATM 110 H UNK 0 12.685 -1.072 1.609 0.00 0.00 H+0 HETATM 111 H UNK 0 11.232 -2.721 1.649 0.00 0.00 H+0 HETATM 112 H UNK 0 11.232 -3.199 -0.387 0.00 0.00 H+0 HETATM 113 H UNK 0 9.622 -0.294 2.023 0.00 0.00 H+0 HETATM 114 H UNK 0 7.557 -1.379 1.061 0.00 0.00 H+0 HETATM 115 H UNK 0 7.963 -3.160 3.071 0.00 0.00 H+0 HETATM 116 H UNK 0 8.715 -5.294 2.205 0.00 0.00 H+0 HETATM 117 H UNK 0 9.912 -4.225 2.857 0.00 0.00 H+0 HETATM 118 H UNK 0 9.771 -4.574 1.046 0.00 0.00 H+0 HETATM 119 H UNK 0 6.695 -4.747 2.233 0.00 0.00 H+0 HETATM 120 H UNK 0 7.795 -4.932 0.184 0.00 0.00 H+0 HETATM 121 H UNK 0 6.153 -2.075 2.179 0.00 0.00 H+0 HETATM 122 H UNK 0 4.212 -2.744 0.130 0.00 0.00 H+0 HETATM 123 H UNK 0 5.859 -3.050 -0.482 0.00 0.00 H+0 HETATM 124 H UNK 0 5.414 -1.420 0.140 0.00 0.00 H+0 HETATM 125 H UNK 0 4.225 -4.504 2.024 0.00 0.00 H+0 HETATM 126 H UNK 0 2.096 -4.043 2.737 0.00 0.00 H+0 HETATM 127 H UNK 0 2.548 -4.183 4.438 0.00 0.00 H+0 HETATM 128 H UNK 0 1.748 -2.680 3.943 0.00 0.00 H+0 HETATM 129 H UNK 0 7.467 -0.836 5.796 0.00 0.00 H+0 HETATM 130 H UNK 0 8.157 1.536 5.421 0.00 0.00 H+0 HETATM 131 H UNK 0 8.889 0.084 4.671 0.00 0.00 H+0 HETATM 132 H UNK 0 8.933 1.732 3.833 0.00 0.00 H+0 HETATM 133 H UNK 0 7.259 2.257 2.348 0.00 0.00 H+0 HETATM 134 H UNK 0 0.778 1.166 0.483 0.00 0.00 H+0 HETATM 135 H UNK 0 2.044 -0.457 -1.601 0.00 0.00 H+0 HETATM 136 H UNK 0 1.484 -1.409 -0.167 0.00 0.00 H+0 HETATM 137 H UNK 0 -0.247 -1.238 -1.900 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.157 0.512 -1.951 0.00 0.00 H+0 HETATM 139 H UNK 0 -3.017 -0.485 -3.813 0.00 0.00 H+0 HETATM 140 H UNK 0 -4.141 -4.587 -0.384 0.00 0.00 H+0 HETATM 141 H UNK 0 -2.634 -3.972 -1.054 0.00 0.00 H+0 HETATM 142 H UNK 0 -3.638 -3.007 0.192 0.00 0.00 H+0 HETATM 143 H UNK 0 -5.983 -3.643 -0.809 0.00 0.00 H+0 HETATM 144 H UNK 0 -6.290 -4.303 -3.874 0.00 0.00 H+0 HETATM 145 H UNK 0 -8.432 -3.727 -3.836 0.00 0.00 H+0 HETATM 146 H UNK 0 -8.833 -1.784 -1.682 0.00 0.00 H+0 HETATM 147 H UNK 0 -8.276 0.285 -2.688 0.00 0.00 H+0 HETATM 148 H UNK 0 -8.171 -1.380 -5.233 0.00 0.00 H+0 HETATM 149 H UNK 0 -8.032 0.792 -6.380 0.00 0.00 H+0 HETATM 150 H UNK 0 -6.702 0.485 -5.254 0.00 0.00 H+0 HETATM 151 H UNK 0 -7.970 1.632 -4.759 0.00 0.00 H+0 HETATM 152 H UNK 0 -10.169 0.635 -5.625 0.00 0.00 H+0 HETATM 153 H UNK 0 -9.614 -2.040 -6.117 0.00 0.00 H+0 HETATM 154 H UNK 0 -10.841 -1.430 -3.504 0.00 0.00 H+0 HETATM 155 H UNK 0 -12.027 -0.795 -4.603 0.00 0.00 H+0 HETATM 156 H UNK 0 -13.425 2.700 -1.496 0.00 0.00 H+0 HETATM 157 H UNK 0 -12.758 2.961 -3.119 0.00 0.00 H+0 HETATM 158 H UNK 0 -14.142 1.811 -2.860 0.00 0.00 H+0 HETATM 159 H UNK 0 -13.157 0.799 -0.334 0.00 0.00 H+0 HETATM 160 H UNK 0 -11.017 -1.240 -1.282 0.00 0.00 H+0 HETATM 161 H UNK 0 -12.313 -1.480 -0.132 0.00 0.00 H+0 HETATM 162 H UNK 0 -11.384 0.377 1.162 0.00 0.00 H+0 HETATM 163 H UNK 0 -10.083 1.196 -0.440 0.00 0.00 H+0 HETATM 164 H UNK 0 -11.083 -2.420 1.162 0.00 0.00 H+0 HETATM 165 H UNK 0 -8.588 -2.569 1.714 0.00 0.00 H+0 HETATM 166 H UNK 0 -8.660 -1.264 3.800 0.00 0.00 H+0 HETATM 167 H UNK 0 -9.867 1.268 2.675 0.00 0.00 H+0 HETATM 168 H UNK 0 -9.690 0.729 4.316 0.00 0.00 H+0 HETATM 169 H UNK 0 -10.887 -0.125 3.385 0.00 0.00 H+0 HETATM 170 H UNK 0 -7.680 0.920 2.064 0.00 0.00 H+0 HETATM 171 H UNK 0 -6.904 -1.067 1.007 0.00 0.00 H+0 HETATM 172 H UNK 0 -7.121 1.417 4.204 0.00 0.00 H+0 HETATM 173 H UNK 0 -6.923 -1.558 4.854 0.00 0.00 H+0 HETATM 174 H UNK 0 -6.257 -0.235 5.823 0.00 0.00 H+0 HETATM 175 H UNK 0 -7.988 -0.247 5.604 0.00 0.00 H+0 HETATM 176 H UNK 0 -4.768 -0.532 3.684 0.00 0.00 H+0 HETATM 177 H UNK 0 -2.504 2.163 4.223 0.00 0.00 H+0 HETATM 178 H UNK 0 -2.920 0.507 4.668 0.00 0.00 H+0 HETATM 179 H UNK 0 -3.605 1.850 5.656 0.00 0.00 H+0 HETATM 180 H UNK 0 -7.853 4.721 2.141 0.00 0.00 H+0 HETATM 181 H UNK 0 -8.953 3.577 -1.048 0.00 0.00 H+0 HETATM 182 H UNK 0 -9.092 4.040 0.672 0.00 0.00 H+0 HETATM 183 H UNK 0 -8.193 5.095 -0.523 0.00 0.00 H+0 HETATM 184 H UNK 0 -7.084 2.453 -1.826 0.00 0.00 H+0 HETATM 185 H UNK 0 3.350 3.812 -1.128 0.00 0.00 H+0 HETATM 186 H UNK 0 3.222 0.015 -3.702 0.00 0.00 H+0 HETATM 187 H UNK 0 4.463 -0.701 -2.513 0.00 0.00 H+0 HETATM 188 H UNK 0 4.882 -0.430 -4.197 0.00 0.00 H+0 HETATM 189 H UNK 0 6.720 0.647 -3.154 0.00 0.00 H+0 HETATM 190 H UNK 0 7.082 2.888 -4.783 0.00 0.00 H+0 HETATM 191 H UNK 0 6.638 4.829 -3.575 0.00 0.00 H+0 HETATM 192 H UNK 0 6.992 4.644 -1.004 0.00 0.00 H+0 HETATM 193 H UNK 0 8.972 3.571 -0.294 0.00 0.00 H+0 HETATM 194 H UNK 0 8.907 2.063 -3.017 0.00 0.00 H+0 HETATM 195 H UNK 0 7.855 1.005 -0.659 0.00 0.00 H+0 HETATM 196 H UNK 0 8.644 0.061 -1.949 0.00 0.00 H+0 HETATM 197 H UNK 0 9.611 0.541 -0.580 0.00 0.00 H+0 HETATM 198 H UNK 0 11.144 1.501 -2.489 0.00 0.00 H+0 HETATM 199 H UNK 0 11.391 3.351 -3.560 0.00 0.00 H+0 HETATM 200 H UNK 0 11.412 3.489 -0.367 0.00 0.00 H+0 HETATM 201 H UNK 0 10.612 2.058 0.229 0.00 0.00 H+0 CONECT 1 2 105 106 107 CONECT 2 1 3 101 CONECT 3 2 4 108 CONECT 4 3 5 109 110 CONECT 5 4 6 7 111 CONECT 6 5 112 CONECT 7 5 8 113 CONECT 8 7 9 114 CONECT 9 8 10 11 115 CONECT 10 9 116 117 118 CONECT 11 9 12 13 119 CONECT 12 11 120 CONECT 13 11 14 15 121 CONECT 14 13 122 123 124 CONECT 15 13 16 125 CONECT 16 15 17 18 CONECT 17 16 126 127 128 CONECT 18 16 19 20 CONECT 19 18 CONECT 20 18 21 27 CONECT 21 20 22 23 CONECT 22 21 129 CONECT 23 21 24 25 CONECT 24 23 130 131 132 CONECT 25 23 26 133 CONECT 26 25 27 103 CONECT 27 26 28 20 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 85 CONECT 31 30 32 134 CONECT 32 31 33 135 136 CONECT 33 32 34 137 138 CONECT 34 33 35 CONECT 35 34 36 81 CONECT 36 35 37 83 CONECT 37 36 38 139 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 42 CONECT 41 40 140 141 142 CONECT 42 40 43 143 CONECT 43 42 44 144 CONECT 44 43 45 145 CONECT 45 44 46 146 CONECT 46 45 47 147 CONECT 47 46 48 49 148 CONECT 48 47 149 150 151 CONECT 49 47 50 51 152 CONECT 50 49 153 CONECT 51 49 52 154 155 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 56 CONECT 55 54 156 157 158 CONECT 56 54 57 159 CONECT 57 56 58 160 161 CONECT 58 57 59 60 162 CONECT 59 58 163 CONECT 60 58 61 164 CONECT 61 60 62 165 CONECT 62 61 63 64 166 CONECT 63 62 167 168 169 CONECT 64 62 65 66 170 CONECT 65 64 171 CONECT 66 64 67 68 172 CONECT 67 66 173 174 175 CONECT 68 66 69 176 CONECT 69 68 70 71 CONECT 70 69 177 178 179 CONECT 71 69 72 73 CONECT 72 71 CONECT 73 71 74 80 CONECT 74 73 75 76 CONECT 75 74 180 CONECT 76 74 77 78 CONECT 77 76 181 182 183 CONECT 78 76 79 184 CONECT 79 78 80 83 CONECT 80 79 81 73 CONECT 81 80 82 35 CONECT 82 81 CONECT 83 79 84 36 CONECT 84 83 CONECT 85 30 86 103 CONECT 86 85 87 185 CONECT 87 86 88 89 CONECT 88 87 CONECT 89 87 90 91 CONECT 90 89 186 187 188 CONECT 91 89 92 189 CONECT 92 91 93 190 CONECT 93 92 94 191 CONECT 94 93 95 192 CONECT 95 94 96 193 CONECT 96 95 97 98 194 CONECT 97 96 195 196 197 CONECT 98 96 99 100 198 CONECT 99 98 199 CONECT 100 98 101 200 201 CONECT 101 100 102 2 CONECT 102 101 CONECT 103 85 104 26 CONECT 104 103 CONECT 105 1 CONECT 106 1 CONECT 107 1 CONECT 108 3 CONECT 109 4 CONECT 110 4 CONECT 111 5 CONECT 112 6 CONECT 113 7 CONECT 114 8 CONECT 115 9 CONECT 116 10 CONECT 117 10 CONECT 118 10 CONECT 119 11 CONECT 120 12 CONECT 121 13 CONECT 122 14 CONECT 123 14 CONECT 124 14 CONECT 125 15 CONECT 126 17 CONECT 127 17 CONECT 128 17 CONECT 129 22 CONECT 130 24 CONECT 131 24 CONECT 132 24 CONECT 133 25 CONECT 134 31 CONECT 135 32 CONECT 136 32 CONECT 137 33 CONECT 138 33 CONECT 139 37 CONECT 140 41 CONECT 141 41 CONECT 142 41 CONECT 143 42 CONECT 144 43 CONECT 145 44 CONECT 146 45 CONECT 147 46 CONECT 148 47 CONECT 149 48 CONECT 150 48 CONECT 151 48 CONECT 152 49 CONECT 153 50 CONECT 154 51 CONECT 155 51 CONECT 156 55 CONECT 157 55 CONECT 158 55 CONECT 159 56 CONECT 160 57 CONECT 161 57 CONECT 162 58 CONECT 163 59 CONECT 164 60 CONECT 165 61 CONECT 166 62 CONECT 167 63 CONECT 168 63 CONECT 169 63 CONECT 170 64 CONECT 171 65 CONECT 172 66 CONECT 173 67 CONECT 174 67 CONECT 175 67 CONECT 176 68 CONECT 177 70 CONECT 178 70 CONECT 179 70 CONECT 180 75 CONECT 181 77 CONECT 182 77 CONECT 183 77 CONECT 184 78 CONECT 185 86 CONECT 186 90 CONECT 187 90 CONECT 188 90 CONECT 189 91 CONECT 190 92 CONECT 191 93 CONECT 192 94 CONECT 193 95 CONECT 194 96 CONECT 195 97 CONECT 196 97 CONECT 197 97 CONECT 198 98 CONECT 199 99 CONECT 200 100 CONECT 201 100 MASTER 0 0 0 0 0 0 0 0 201 0 412 0 END SMILES for NP0010926 (Naphthomycin N)[H]OC1=C2C3=C(C([H])=C1C([H])([H])[H])C(=O)C(N([H])C(=O)\C(=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C(=O)\C(=C([H])/C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(\C([H])=C(/C2=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])=C(N([H])C([H])([H])C([H])([H])SC1=C2N([H])C(=O)\C(=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C(=O)\C(=C([H])/C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(\C([H])=C(/C(=O)C4=C(C1=O)C(=C([H])C(=C4O[H])C([H])([H])[H])C2=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C3=O INCHI for NP0010926 (Naphthomycin N)InChI=1S/C82H97N3O18S/c1-41-21-17-15-19-23-47(7)81(102)84-68-67(78(100)63-57(76(68)98)37-53(13)74(96)65(63)72(94)51(11)35-49(9)70(92)45(5)27-31-55(86)29-25-43(3)61(90)39-59(41)88)83-33-34-104-80-69-77(99)58-38-54(14)75(97)66(64(58)79(80)101)73(95)52(12)36-50(10)71(93)46(6)28-32-56(87)30-26-44(4)62(91)40-60(89)42(2)22-18-16-20-24-48(8)82(103)85-69/h15-28,31-32,35-38,41-42,45-46,49-50,55-56,59-60,70-71,83,86-89,92-93,96-97H,29-30,33-34,39-40H2,1-14H3,(H,84,102)(H,85,103)/b19-15-,20-16-,21-17-,22-18-,31-27-,32-28-,43-25-,44-26-,47-23-,48-24-,51-35-,52-36-/t41-,42-,45-,46-,49-,50-,55-,56-,59-,60-,70-,71-/m0/s1 3D Structure for NP0010926 (Naphthomycin N) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C82H97N3O18S | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1444.7400 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1443.64878 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-31-[(2-{[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1,3,5(33),7,12,16,22,24,26,30-decaen-31-yl]sulfanyl}ethyl)amino]-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-31-[(2-{[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1,3,5(33),7,12,16,22,24,26,30-decaen-31-yl]sulfanyl}ethyl)amino]-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@H]1\C=C/C=C\C=C(C)/C(=O)NC2=C(NCCSC3=C4NC(=O)\C(C)=C/C=C\C=C/[C@H](C)[C@@H](O)CC(=O)\C(C)=C/C[C@H](O)\C=C/[C@H](C)[C@H](O)[C@@H](C)\C=C(C)/C(=O)C5=C(C3=O)C(=CC(C)=C5O)C4=O)C(=O)C3=C(C(O)=C(C)C=C3C2=O)C(=O)\C(C)=C/[C@H](C)[C@@H](O)[C@@H](C)\C=C/[C@@H](O)C\C=C(C)/C(=O)C[C@@H]1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C82H97N3O18S/c1-41-21-17-15-19-23-47(7)81(102)84-68-67(78(100)63-57(76(68)98)37-53(13)74(96)65(63)72(94)51(11)35-49(9)70(92)45(5)27-31-55(86)29-25-43(3)61(90)39-59(41)88)83-33-34-104-80-69-77(99)58-38-54(14)75(97)66(64(58)79(80)101)73(95)52(12)36-50(10)71(93)46(6)28-32-56(87)30-26-44(4)62(91)40-60(89)42(2)22-18-16-20-24-48(8)82(103)85-69/h15-28,31-32,35-38,41-42,45-46,49-50,55-56,59-60,70-71,83,86-89,92-93,96-97H,29-30,33-34,39-40H2,1-14H3,(H,84,102)(H,85,103)/b19-15-,20-16-,21-17-,22-18-,31-27-,32-28-,43-25-,44-26-,47-23-,48-24-,51-35-,52-36-/t41-,42-,45-,46-,49-,50-,55-,56-,59-,60-,70-,71-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | VYEVYPKXBMGTHG-QDXHLQEBSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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