Showing NP-Card for MBJ-0038 (NP0042764)
Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-06-21 00:20:36 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-06-30 00:18:02 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0042764 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | MBJ-0038 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | JEOL Database![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | MBJ-0038 is found in Chaetomium sp. f24230. It was first documented in 2013 (Kawahara, T., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0042764 (MBJ-0038)Mrv1652306212102203D 96104 0 0 0 0 999 V2000 4.5793 4.0718 -4.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 3.9670 -2.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3177 3.2408 -2.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 3.0538 -0.6756 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7185 3.4885 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0466 1.5842 -0.2863 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1547 1.4959 0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 0.5232 1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 -0.7818 0.4828 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0768 -1.9652 1.4337 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1304 -2.9093 1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -3.3264 0.8402 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2349 -4.3926 1.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -3.3405 -0.6532 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3240 -4.7291 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5336 -2.2750 -1.0672 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0705 -2.6766 -0.7988 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8022 -2.5363 -2.0626 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2476 -2.8412 -1.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 -1.9208 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 -2.5942 -1.5035 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1982 -3.9429 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -5.0004 -1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 -6.2920 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 -6.5145 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 -5.4456 -1.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -4.1315 -1.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 -1.8003 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -0.7736 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 0.0871 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7233 -0.8583 -0.3571 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7682 0.2265 -1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 0.0074 -2.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.5817 -1.2013 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3848 1.5177 -1.5791 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3073 1.7988 -3.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 3.0905 -2.9399 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5972 3.7682 -2.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 5.0800 -1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 6.0328 -2.7241 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 5.4029 -0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 6.7134 -0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 4.4227 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 4.8821 0.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 3.0728 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 2.0125 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 2.7798 -1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6385 2.6732 -2.1864 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3041 3.8478 -1.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 4.1275 -0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2447 4.7321 -2.3405 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7469 5.8362 -1.5967 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 3.5185 -4.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 5.1191 -4.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 3.6693 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1209 2.7325 -2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 3.7183 -0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 4.5372 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5313 2.8837 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7498 3.3888 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 1.0714 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9787 1.0466 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 2.3314 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 0.6589 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 -0.9028 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 -1.7604 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -4.4404 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -5.3718 1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 -4.2071 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 -3.0213 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -5.2145 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 -4.6717 -2.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 -5.3881 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 -2.1809 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 -3.6904 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 -3.2158 -2.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 -1.5220 -2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2789 -0.8451 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3559 -2.1695 -1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1424 -4.8318 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 -7.1356 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 -7.5284 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2639 -5.6363 -1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 -1.9003 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 1.8621 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9321 0.5914 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 3.5302 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8639 6.8649 -2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8241 6.6946 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 4.1768 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5252 2.1053 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9234 2.0949 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 1.0074 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 2.2435 -2.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 5.1498 -3.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2747 5.8126 -0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 17 28 1 0 0 0 0 4 3 1 0 0 0 0 20 19 2 0 0 0 0 3 2 2 0 0 0 0 27 26 2 0 0 0 0 2 1 1 0 0 0 0 28 29 1 0 0 0 0 2 51 1 0 0 0 0 31 29 1 1 0 0 0 51 49 1 0 0 0 0 16 17 1 0 0 0 0 51 52 1 0 0 0 0 16 31 1 0 0 0 0 49 50 2 0 0 0 0 19 27 1 0 0 0 0 49 48 1 0 0 0 0 48 34 1 0 0 0 0 26 25 1 0 0 0 0 22 21 1 0 0 0 0 25 24 2 0 0 0 0 48 37 1 0 0 0 0 34 35 1 0 0 0 0 35 47 1 0 0 0 0 38 37 1 0 0 0 0 31 32 1 0 0 0 0 21 20 1 0 0 0 0 34 32 1 0 0 0 0 24 23 1 0 0 0 0 16 14 1 0 0 0 0 38 47 2 0 0 0 0 31 9 1 0 0 0 0 47 45 1 0 0 0 0 9 10 1 0 0 0 0 45 43 2 0 0 0 0 10 12 1 0 0 0 0 43 41 1 0 0 0 0 12 14 1 0 0 0 0 41 39 2 0 0 0 0 39 38 1 0 0 0 0 23 22 2 0 0 0 0 32 33 2 0 0 0 0 29 30 2 0 0 0 0 14 15 1 0 0 0 0 12 13 1 1 0 0 0 9 8 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 19 18 1 0 0 0 0 4 5 1 0 0 0 0 8 7 2 0 0 0 0 35 36 1 0 0 0 0 37 36 1 0 0 0 0 22 27 1 0 0 0 0 39 40 1 0 0 0 0 7 6 1 0 0 0 0 41 42 1 0 0 0 0 17 18 1 0 0 0 0 43 44 1 0 0 0 0 6 4 1 0 0 0 0 45 46 1 0 0 0 0 21 79 1 0 0 0 0 20 78 1 0 0 0 0 26 83 1 0 0 0 0 25 82 1 0 0 0 0 24 81 1 0 0 0 0 23 80 1 0 0 0 0 18 76 1 0 0 0 0 18 77 1 0 0 0 0 17 75 1 1 0 0 0 28 84 1 0 0 0 0 16 74 1 6 0 0 0 9 65 1 6 0 0 0 10 66 1 1 0 0 0 14 70 1 6 0 0 0 8 64 1 0 0 0 0 7 63 1 0 0 0 0 6 61 1 0 0 0 0 6 62 1 0 0 0 0 4 57 1 1 0 0 0 3 56 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 51 95 1 6 0 0 0 52 96 1 0 0 0 0 48 94 1 6 0 0 0 34 85 1 1 0 0 0 35 86 1 6 0 0 0 37 87 1 6 0 0 0 15 71 1 0 0 0 0 15 72 1 0 0 0 0 15 73 1 0 0 0 0 13 67 1 0 0 0 0 13 68 1 0 0 0 0 13 69 1 0 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 5 60 1 0 0 0 0 40 88 1 0 0 0 0 42 89 1 0 0 0 0 44 90 1 0 0 0 0 46 91 1 0 0 0 0 46 92 1 0 0 0 0 46 93 1 0 0 0 0 M END 3D MOL for NP0042764 (MBJ-0038)RDKit 3D 96104 0 0 0 0 0 0 0 0999 V2000 4.5793 4.0718 -4.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 3.9670 -2.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3177 3.2408 -2.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 3.0538 -0.6756 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7185 3.4885 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0466 1.5842 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 1.4959 0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 0.5232 1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 -0.7818 0.4828 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0768 -1.9652 1.4337 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1304 -2.9093 1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -3.3264 0.8402 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2349 -4.3926 1.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -3.3405 -0.6532 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3240 -4.7291 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5336 -2.2750 -1.0672 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0705 -2.6766 -0.7988 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8022 -2.5363 -2.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 -2.8412 -1.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 -1.9208 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 -2.5942 -1.5035 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1982 -3.9429 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -5.0004 -1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 -6.2920 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 -6.5145 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 -5.4456 -1.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -4.1315 -1.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 -1.8003 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -0.7736 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 0.0871 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7233 -0.8583 -0.3571 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7682 0.2265 -1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 0.0074 -2.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.5817 -1.2013 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3848 1.5177 -1.5791 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3073 1.7988 -3.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 3.0905 -2.9399 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5972 3.7682 -2.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 5.0800 -1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 6.0328 -2.7241 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 5.4029 -0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 6.7134 -0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 4.4227 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 4.8821 0.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 3.0728 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 2.0125 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 2.7798 -1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6385 2.6732 -2.1864 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3041 3.8478 -1.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 4.1275 -0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2447 4.7321 -2.3405 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7469 5.8362 -1.5967 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 3.5185 -4.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 5.1191 -4.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 3.6693 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1209 2.7325 -2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 3.7183 -0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 4.5372 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5313 2.8837 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7498 3.3888 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 1.0714 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9787 1.0466 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 2.3314 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 0.6589 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 -0.9028 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 -1.7604 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -4.4404 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -5.3718 1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 -4.2071 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 -3.0213 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -5.2145 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 -4.6717 -2.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 -5.3881 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 -2.1809 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 -3.6904 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 -3.2158 -2.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 -1.5220 -2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2789 -0.8451 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3559 -2.1695 -1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1424 -4.8318 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 -7.1356 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 -7.5284 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2639 -5.6363 -1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 -1.9003 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 1.8621 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9321 0.5914 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 3.5302 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8639 6.8649 -2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8241 6.6946 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 4.1768 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5252 2.1053 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9234 2.0949 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 1.0074 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 2.2435 -2.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 5.1498 -3.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2747 5.8126 -0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 17 28 1 0 4 3 1 0 20 19 2 0 3 2 2 0 27 26 2 0 2 1 1 0 28 29 1 0 2 51 1 0 31 29 1 1 51 49 1 0 16 17 1 0 51 52 1 0 16 31 1 0 49 50 2 0 19 27 1 0 49 48 1 0 48 34 1 0 26 25 1 0 22 21 1 0 25 24 2 0 48 37 1 0 34 35 1 0 35 47 1 0 38 37 1 0 31 32 1 0 21 20 1 0 34 32 1 0 24 23 1 0 16 14 1 0 38 47 2 0 31 9 1 0 47 45 1 0 9 10 1 0 45 43 2 0 10 12 1 0 43 41 1 0 12 14 1 0 41 39 2 0 39 38 1 0 23 22 2 0 32 33 2 0 29 30 2 0 14 15 1 0 12 13 1 1 9 8 1 0 10 11 1 0 12 11 1 0 19 18 1 0 4 5 1 0 8 7 2 0 35 36 1 0 37 36 1 0 22 27 1 0 39 40 1 0 7 6 1 0 41 42 1 0 17 18 1 0 43 44 1 0 6 4 1 0 45 46 1 0 21 79 1 0 20 78 1 0 26 83 1 0 25 82 1 0 24 81 1 0 23 80 1 0 18 76 1 0 18 77 1 0 17 75 1 1 28 84 1 0 16 74 1 6 9 65 1 6 10 66 1 1 14 70 1 6 8 64 1 0 7 63 1 0 6 61 1 0 6 62 1 0 4 57 1 1 3 56 1 0 1 53 1 0 1 54 1 0 1 55 1 0 51 95 1 6 52 96 1 0 48 94 1 6 34 85 1 1 35 86 1 6 37 87 1 6 15 71 1 0 15 72 1 0 15 73 1 0 13 67 1 0 13 68 1 0 13 69 1 0 5 58 1 0 5 59 1 0 5 60 1 0 40 88 1 0 42 89 1 0 44 90 1 0 46 91 1 0 46 92 1 0 46 93 1 0 M END 3D SDF for NP0042764 (MBJ-0038)Mrv1652306212102203D 96104 0 0 0 0 999 V2000 4.5793 4.0718 -4.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 3.9670 -2.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3177 3.2408 -2.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 3.0538 -0.6756 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7185 3.4885 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0466 1.5842 -0.2863 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1547 1.4959 0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 0.5232 1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 -0.7818 0.4828 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0768 -1.9652 1.4337 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1304 -2.9093 1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -3.3264 0.8402 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2349 -4.3926 1.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -3.3405 -0.6532 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3240 -4.7291 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5336 -2.2750 -1.0672 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0705 -2.6766 -0.7988 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8022 -2.5363 -2.0626 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2476 -2.8412 -1.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 -1.9208 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 -2.5942 -1.5035 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1982 -3.9429 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -5.0004 -1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 -6.2920 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 -6.5145 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 -5.4456 -1.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -4.1315 -1.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 -1.8003 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -0.7736 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 0.0871 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7233 -0.8583 -0.3571 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7682 0.2265 -1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 0.0074 -2.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.5817 -1.2013 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3848 1.5177 -1.5791 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3073 1.7988 -3.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 3.0905 -2.9399 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5972 3.7682 -2.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 5.0800 -1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 6.0328 -2.7241 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 5.4029 -0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 6.7134 -0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 4.4227 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 4.8821 0.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 3.0728 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 2.0125 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 2.7798 -1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6385 2.6732 -2.1864 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3041 3.8478 -1.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 4.1275 -0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2447 4.7321 -2.3405 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7469 5.8362 -1.5967 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 3.5185 -4.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 5.1191 -4.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 3.6693 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1209 2.7325 -2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 3.7183 -0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 4.5372 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5313 2.8837 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7498 3.3888 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 1.0714 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9787 1.0466 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 2.3314 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 0.6589 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 -0.9028 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 -1.7604 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -4.4404 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -5.3718 1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 -4.2071 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 -3.0213 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -5.2145 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 -4.6717 -2.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 -5.3881 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 -2.1809 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 -3.6904 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 -3.2158 -2.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 -1.5220 -2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2789 -0.8451 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3559 -2.1695 -1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1424 -4.8318 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 -7.1356 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 -7.5284 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2639 -5.6363 -1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 -1.9003 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 1.8621 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9321 0.5914 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 3.5302 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8639 6.8649 -2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8241 6.6946 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 4.1768 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5252 2.1053 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9234 2.0949 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 1.0074 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 2.2435 -2.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 5.1498 -3.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2747 5.8126 -0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 17 28 1 0 0 0 0 4 3 1 0 0 0 0 20 19 2 0 0 0 0 3 2 2 0 0 0 0 27 26 2 0 0 0 0 2 1 1 0 0 0 0 28 29 1 0 0 0 0 2 51 1 0 0 0 0 31 29 1 1 0 0 0 51 49 1 0 0 0 0 16 17 1 0 0 0 0 51 52 1 0 0 0 0 16 31 1 0 0 0 0 49 50 2 0 0 0 0 19 27 1 0 0 0 0 49 48 1 0 0 0 0 48 34 1 0 0 0 0 26 25 1 0 0 0 0 22 21 1 0 0 0 0 25 24 2 0 0 0 0 48 37 1 0 0 0 0 34 35 1 0 0 0 0 35 47 1 0 0 0 0 38 37 1 0 0 0 0 31 32 1 0 0 0 0 21 20 1 0 0 0 0 34 32 1 0 0 0 0 24 23 1 0 0 0 0 16 14 1 0 0 0 0 38 47 2 0 0 0 0 31 9 1 0 0 0 0 47 45 1 0 0 0 0 9 10 1 0 0 0 0 45 43 2 0 0 0 0 10 12 1 0 0 0 0 43 41 1 0 0 0 0 12 14 1 0 0 0 0 41 39 2 0 0 0 0 39 38 1 0 0 0 0 23 22 2 0 0 0 0 32 33 2 0 0 0 0 29 30 2 0 0 0 0 14 15 1 0 0 0 0 12 13 1 1 0 0 0 9 8 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 19 18 1 0 0 0 0 4 5 1 0 0 0 0 8 7 2 0 0 0 0 35 36 1 0 0 0 0 37 36 1 0 0 0 0 22 27 1 0 0 0 0 39 40 1 0 0 0 0 7 6 1 0 0 0 0 41 42 1 0 0 0 0 17 18 1 0 0 0 0 43 44 1 0 0 0 0 6 4 1 0 0 0 0 45 46 1 0 0 0 0 21 79 1 0 0 0 0 20 78 1 0 0 0 0 26 83 1 0 0 0 0 25 82 1 0 0 0 0 24 81 1 0 0 0 0 23 80 1 0 0 0 0 18 76 1 0 0 0 0 18 77 1 0 0 0 0 17 75 1 1 0 0 0 28 84 1 0 0 0 0 16 74 1 6 0 0 0 9 65 1 6 0 0 0 10 66 1 1 0 0 0 14 70 1 6 0 0 0 8 64 1 0 0 0 0 7 63 1 0 0 0 0 6 61 1 0 0 0 0 6 62 1 0 0 0 0 4 57 1 1 0 0 0 3 56 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 51 95 1 6 0 0 0 52 96 1 0 0 0 0 48 94 1 6 0 0 0 34 85 1 1 0 0 0 35 86 1 6 0 0 0 37 87 1 6 0 0 0 15 71 1 0 0 0 0 15 72 1 0 0 0 0 15 73 1 0 0 0 0 13 67 1 0 0 0 0 13 68 1 0 0 0 0 13 69 1 0 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 5 60 1 0 0 0 0 40 88 1 0 0 0 0 42 89 1 0 0 0 0 44 90 1 0 0 0 0 46 91 1 0 0 0 0 46 92 1 0 0 0 0 46 93 1 0 0 0 0 M END > <DATABASE_ID> NP0042764 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C(O[H])C(O[H])=C(C2=C1[C@]1([H])O[C@@]2([H])[C@@]2([H])C(=O)[C@@]34C(=O)N([H])[C@@]([H])(C([H])([H])C5=C([H])N([H])C6=C([H])C([H])=C([H])C([H])=C56)[C@]3([H])[C@]([H])(C([H])([H])[H])[C@]3(O[C@@]3([H])[C@]4([H])\C([H])=C([H])/C([H])([H])[C@]([H])(\C([H])=C(C([H])([H])[H])/[C@]([H])(O[H])C(=O)[C@]12[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C41H44N2O9/c1-16-9-8-11-22-38-40(5,52-38)19(4)29-24(14-20-15-42-23-12-7-6-10-21(20)23)43-39(50)41(22,29)37(49)28-27(32(46)30(44)17(2)13-16)36-26-25(35(28)51-36)18(3)31(45)34(48)33(26)47/h6-8,10-13,15-16,19,22,24,27-30,35-36,38,42,44-45,47-48H,9,14H2,1-5H3,(H,43,50)/b11-8-,17-13-/t16-,19+,22+,24+,27-,28+,29+,30+,35-,36+,38+,40-,41+/m1/s1 > <INCHI_KEY> FDDXKKASNKWHAO-UZPPTEPOSA-N > <FORMULA> C41H44N2O9 > <MOLECULAR_WEIGHT> 708.808 > <EXACT_MASS> 708.304681005 > <JCHEM_ACCEPTOR_COUNT> 9 > <JCHEM_ATOM_COUNT> 96 > <JCHEM_AVERAGE_POLARIZABILITY> 74.84409841738233 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 6 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (1S,2S,4R,7S,8R,9S,10R,12S,13R,14Z,17R,18Z,20S,22S,23R)-20,25,26,27-tetrahydroxy-7-[(1H-indol-3-yl)methyl]-9,10,17,19,28-pentamethyl-11,30-dioxa-6-azaheptacyclo[21.6.1.0^{2,22}.0^{4,8}.0^{4,13}.0^{10,12}.0^{24,29}]triaconta-14,18,24(29),25,27-pentaene-3,5,21-trione > <ALOGPS_LOGP> 4.73 > <JCHEM_LOGP> 4.858406068666666 > <ALOGPS_LOGS> -4.68 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 9 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 10.937144165944623 > <JCHEM_PKA_STRONGEST_ACIDIC> 8.849951155067066 > <JCHEM_PKA_STRONGEST_BASIC> -3.750334833708174 > <JCHEM_POLAR_SURFACE_AREA> 181.71 > <JCHEM_REFRACTIVITY> 192.45460000000008 > <JCHEM_ROTATABLE_BOND_COUNT> 2 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.49e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (1S,2S,4R,7S,8R,9S,10R,12S,13R,14Z,17R,18Z,20S,22S,23R)-20,25,26,27-tetrahydroxy-7-(1H-indol-3-ylmethyl)-9,10,17,19,28-pentamethyl-11,30-dioxa-6-azaheptacyclo[21.6.1.0^{2,22}.0^{4,8}.0^{4,13}.0^{10,12}.0^{24,29}]triaconta-14,18,24(29),25,27-pentaene-3,5,21-trione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0042764 (MBJ-0038)RDKit 3D 96104 0 0 0 0 0 0 0 0999 V2000 4.5793 4.0718 -4.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 3.9670 -2.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3177 3.2408 -2.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 3.0538 -0.6756 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7185 3.4885 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0466 1.5842 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 1.4959 0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 0.5232 1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 -0.7818 0.4828 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0768 -1.9652 1.4337 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1304 -2.9093 1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -3.3264 0.8402 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2349 -4.3926 1.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -3.3405 -0.6532 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3240 -4.7291 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5336 -2.2750 -1.0672 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0705 -2.6766 -0.7988 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8022 -2.5363 -2.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 -2.8412 -1.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 -1.9208 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 -2.5942 -1.5035 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1982 -3.9429 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -5.0004 -1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 -6.2920 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 -6.5145 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 -5.4456 -1.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -4.1315 -1.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 -1.8003 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -0.7736 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 0.0871 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7233 -0.8583 -0.3571 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7682 0.2265 -1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 0.0074 -2.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.5817 -1.2013 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3848 1.5177 -1.5791 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3073 1.7988 -3.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 3.0905 -2.9399 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5972 3.7682 -2.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 5.0800 -1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 6.0328 -2.7241 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 5.4029 -0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 6.7134 -0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 4.4227 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 4.8821 0.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 3.0728 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 2.0125 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 2.7798 -1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6385 2.6732 -2.1864 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3041 3.8478 -1.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 4.1275 -0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2447 4.7321 -2.3405 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7469 5.8362 -1.5967 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 3.5185 -4.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 5.1191 -4.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 3.6693 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1209 2.7325 -2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 3.7183 -0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 4.5372 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5313 2.8837 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7498 3.3888 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 1.0714 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9787 1.0466 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 2.3314 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 0.6589 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 -0.9028 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 -1.7604 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -4.4404 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -5.3718 1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 -4.2071 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 -3.0213 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -5.2145 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 -4.6717 -2.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 -5.3881 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 -2.1809 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 -3.6904 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 -3.2158 -2.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 -1.5220 -2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2789 -0.8451 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3559 -2.1695 -1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1424 -4.8318 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 -7.1356 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 -7.5284 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2639 -5.6363 -1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 -1.9003 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 1.8621 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9321 0.5914 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 3.5302 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8639 6.8649 -2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8241 6.6946 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 4.1768 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5252 2.1053 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9234 2.0949 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 1.0074 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 2.2435 -2.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 5.1498 -3.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2747 5.8126 -0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 17 28 1 0 4 3 1 0 20 19 2 0 3 2 2 0 27 26 2 0 2 1 1 0 28 29 1 0 2 51 1 0 31 29 1 1 51 49 1 0 16 17 1 0 51 52 1 0 16 31 1 0 49 50 2 0 19 27 1 0 49 48 1 0 48 34 1 0 26 25 1 0 22 21 1 0 25 24 2 0 48 37 1 0 34 35 1 0 35 47 1 0 38 37 1 0 31 32 1 0 21 20 1 0 34 32 1 0 24 23 1 0 16 14 1 0 38 47 2 0 31 9 1 0 47 45 1 0 9 10 1 0 45 43 2 0 10 12 1 0 43 41 1 0 12 14 1 0 41 39 2 0 39 38 1 0 23 22 2 0 32 33 2 0 29 30 2 0 14 15 1 0 12 13 1 1 9 8 1 0 10 11 1 0 12 11 1 0 19 18 1 0 4 5 1 0 8 7 2 0 35 36 1 0 37 36 1 0 22 27 1 0 39 40 1 0 7 6 1 0 41 42 1 0 17 18 1 0 43 44 1 0 6 4 1 0 45 46 1 0 21 79 1 0 20 78 1 0 26 83 1 0 25 82 1 0 24 81 1 0 23 80 1 0 18 76 1 0 18 77 1 0 17 75 1 1 28 84 1 0 16 74 1 6 9 65 1 6 10 66 1 1 14 70 1 6 8 64 1 0 7 63 1 0 6 61 1 0 6 62 1 0 4 57 1 1 3 56 1 0 1 53 1 0 1 54 1 0 1 55 1 0 51 95 1 6 52 96 1 0 48 94 1 6 34 85 1 1 35 86 1 6 37 87 1 6 15 71 1 0 15 72 1 0 15 73 1 0 13 67 1 0 13 68 1 0 13 69 1 0 5 58 1 0 5 59 1 0 5 60 1 0 40 88 1 0 42 89 1 0 44 90 1 0 46 91 1 0 46 92 1 0 46 93 1 0 M END PDB for NP0042764 (MBJ-0038)HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 4.579 4.072 -4.391 0.00 0.00 C+0 HETATM 2 C UNK 0 4.429 3.967 -2.895 0.00 0.00 C+0 HETATM 3 C UNK 0 5.318 3.241 -2.179 0.00 0.00 C+0 HETATM 4 C UNK 0 5.354 3.054 -0.676 0.00 0.00 C+0 HETATM 5 C UNK 0 6.718 3.489 -0.130 0.00 0.00 C+0 HETATM 6 C UNK 0 5.047 1.584 -0.286 0.00 0.00 C+0 HETATM 7 C UNK 0 4.155 1.496 0.927 0.00 0.00 C+0 HETATM 8 C UNK 0 3.276 0.523 1.225 0.00 0.00 C+0 HETATM 9 C UNK 0 3.040 -0.782 0.483 0.00 0.00 C+0 HETATM 10 C UNK 0 3.077 -1.965 1.434 0.00 0.00 C+0 HETATM 11 O UNK 0 4.130 -2.909 1.220 0.00 0.00 O+0 HETATM 12 C UNK 0 2.808 -3.326 0.840 0.00 0.00 C+0 HETATM 13 C UNK 0 2.235 -4.393 1.716 0.00 0.00 C+0 HETATM 14 C UNK 0 2.586 -3.341 -0.653 0.00 0.00 C+0 HETATM 15 C UNK 0 2.324 -4.729 -1.238 0.00 0.00 C+0 HETATM 16 C UNK 0 1.534 -2.275 -1.067 0.00 0.00 C+0 HETATM 17 C UNK 0 0.071 -2.677 -0.799 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.802 -2.536 -2.063 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.248 -2.841 -1.811 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.276 -1.921 -1.749 0.00 0.00 C+0 HETATM 21 N UNK 0 -4.442 -2.594 -1.504 0.00 0.00 N+0 HETATM 22 C UNK 0 -4.198 -3.943 -1.395 0.00 0.00 C+0 HETATM 23 C UNK 0 -5.081 -5.000 -1.145 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.549 -6.292 -1.099 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.189 -6.515 -1.300 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.320 -5.446 -1.549 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.830 -4.131 -1.594 0.00 0.00 C+0 HETATM 28 N UNK 0 -0.352 -1.800 0.256 0.00 0.00 N+0 HETATM 29 C UNK 0 0.503 -0.774 0.536 0.00 0.00 C+0 HETATM 30 O UNK 0 0.249 0.087 1.362 0.00 0.00 O+0 HETATM 31 C UNK 0 1.723 -0.858 -0.357 0.00 0.00 C+0 HETATM 32 C UNK 0 1.768 0.227 -1.440 0.00 0.00 C+0 HETATM 33 O UNK 0 2.396 0.007 -2.483 0.00 0.00 O+0 HETATM 34 C UNK 0 1.102 1.582 -1.201 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.385 1.518 -1.579 0.00 0.00 C+0 HETATM 36 O UNK 0 -0.307 1.799 -3.012 0.00 0.00 O+0 HETATM 37 C UNK 0 0.374 3.091 -2.940 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.597 3.768 -2.033 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.963 5.080 -1.906 0.00 0.00 C+0 HETATM 40 O UNK 0 -0.447 6.033 -2.724 0.00 0.00 O+0 HETATM 41 C UNK 0 -1.848 5.403 -0.888 0.00 0.00 C+0 HETATM 42 O UNK 0 -2.223 6.713 -0.736 0.00 0.00 O+0 HETATM 43 C UNK 0 -2.337 4.423 -0.003 0.00 0.00 C+0 HETATM 44 O UNK 0 -3.172 4.882 0.985 0.00 0.00 O+0 HETATM 45 C UNK 0 -1.969 3.073 -0.126 0.00 0.00 C+0 HETATM 46 C UNK 0 -2.447 2.013 0.815 0.00 0.00 C+0 HETATM 47 C UNK 0 -1.083 2.780 -1.156 0.00 0.00 C+0 HETATM 48 C UNK 0 1.639 2.673 -2.186 0.00 0.00 C+0 HETATM 49 C UNK 0 2.304 3.848 -1.494 0.00 0.00 C+0 HETATM 50 O UNK 0 2.091 4.128 -0.310 0.00 0.00 O+0 HETATM 51 C UNK 0 3.245 4.732 -2.341 0.00 0.00 C+0 HETATM 52 O UNK 0 3.747 5.836 -1.597 0.00 0.00 O+0 HETATM 53 H UNK 0 5.448 3.519 -4.764 0.00 0.00 H+0 HETATM 54 H UNK 0 4.702 5.119 -4.687 0.00 0.00 H+0 HETATM 55 H UNK 0 3.691 3.669 -4.890 0.00 0.00 H+0 HETATM 56 H UNK 0 6.121 2.732 -2.714 0.00 0.00 H+0 HETATM 57 H UNK 0 4.622 3.718 -0.209 0.00 0.00 H+0 HETATM 58 H UNK 0 6.921 4.537 -0.375 0.00 0.00 H+0 HETATM 59 H UNK 0 7.531 2.884 -0.548 0.00 0.00 H+0 HETATM 60 H UNK 0 6.750 3.389 0.960 0.00 0.00 H+0 HETATM 61 H UNK 0 4.566 1.071 -1.126 0.00 0.00 H+0 HETATM 62 H UNK 0 5.979 1.047 -0.074 0.00 0.00 H+0 HETATM 63 H UNK 0 4.219 2.331 1.626 0.00 0.00 H+0 HETATM 64 H UNK 0 2.690 0.659 2.137 0.00 0.00 H+0 HETATM 65 H UNK 0 3.878 -0.903 -0.218 0.00 0.00 H+0 HETATM 66 H UNK 0 2.752 -1.760 2.445 0.00 0.00 H+0 HETATM 67 H UNK 0 1.147 -4.440 1.608 0.00 0.00 H+0 HETATM 68 H UNK 0 2.654 -5.372 1.465 0.00 0.00 H+0 HETATM 69 H UNK 0 2.453 -4.207 2.774 0.00 0.00 H+0 HETATM 70 H UNK 0 3.529 -3.021 -1.124 0.00 0.00 H+0 HETATM 71 H UNK 0 1.443 -5.215 -0.809 0.00 0.00 H+0 HETATM 72 H UNK 0 2.184 -4.672 -2.323 0.00 0.00 H+0 HETATM 73 H UNK 0 3.179 -5.388 -1.047 0.00 0.00 H+0 HETATM 74 H UNK 0 1.657 -2.181 -2.154 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.024 -3.690 -0.403 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.429 -3.216 -2.839 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.716 -1.522 -2.472 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.279 -0.845 -1.869 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.356 -2.170 -1.422 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.142 -4.832 -0.995 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.209 -7.136 -0.910 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.797 -7.528 -1.266 0.00 0.00 H+0 HETATM 83 H UNK 0 -1.264 -5.636 -1.711 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.235 -1.900 0.745 0.00 0.00 H+0 HETATM 85 H UNK 0 1.251 1.862 -0.156 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.932 0.591 -1.414 0.00 0.00 H+0 HETATM 87 H UNK 0 0.500 3.530 -3.931 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.864 6.865 -2.417 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.824 6.695 0.038 0.00 0.00 H+0 HETATM 90 H UNK 0 -3.287 4.177 1.644 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.525 2.105 0.985 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.923 2.095 1.772 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.283 1.007 0.417 0.00 0.00 H+0 HETATM 94 H UNK 0 2.353 2.244 -2.893 0.00 0.00 H+0 HETATM 95 H UNK 0 2.632 5.150 -3.147 0.00 0.00 H+0 HETATM 96 H UNK 0 3.275 5.813 -0.741 0.00 0.00 H+0 CONECT 1 2 53 54 55 CONECT 2 3 1 51 CONECT 3 4 2 56 CONECT 4 3 5 6 57 CONECT 5 4 58 59 60 CONECT 6 7 4 61 62 CONECT 7 8 6 63 CONECT 8 9 7 64 CONECT 9 31 10 8 65 CONECT 10 9 12 11 66 CONECT 11 10 12 CONECT 12 10 14 13 11 CONECT 13 12 67 68 69 CONECT 14 16 12 15 70 CONECT 15 14 71 72 73 CONECT 16 17 31 14 74 CONECT 17 28 16 18 75 CONECT 18 19 17 76 77 CONECT 19 20 27 18 CONECT 20 19 21 78 CONECT 21 22 20 79 CONECT 22 21 23 27 CONECT 23 24 22 80 CONECT 24 25 23 81 CONECT 25 26 24 82 CONECT 26 27 25 83 CONECT 27 26 19 22 CONECT 28 17 29 84 CONECT 29 28 31 30 CONECT 30 29 CONECT 31 29 16 32 9 CONECT 32 31 34 33 CONECT 33 32 CONECT 34 48 35 32 85 CONECT 35 34 47 36 86 CONECT 36 35 37 CONECT 37 48 38 36 87 CONECT 38 37 47 39 CONECT 39 41 38 40 CONECT 40 39 88 CONECT 41 43 39 42 CONECT 42 41 89 CONECT 43 45 41 44 CONECT 44 43 90 CONECT 45 47 43 46 CONECT 46 45 91 92 93 CONECT 47 35 38 45 CONECT 48 49 34 37 94 CONECT 49 51 50 48 CONECT 50 49 CONECT 51 2 49 52 95 CONECT 52 51 96 CONECT 53 1 CONECT 54 1 CONECT 55 1 CONECT 56 3 CONECT 57 4 CONECT 58 5 CONECT 59 5 CONECT 60 5 CONECT 61 6 CONECT 62 6 CONECT 63 7 CONECT 64 8 CONECT 65 9 CONECT 66 10 CONECT 67 13 CONECT 68 13 CONECT 69 13 CONECT 70 14 CONECT 71 15 CONECT 72 15 CONECT 73 15 CONECT 74 16 CONECT 75 17 CONECT 76 18 CONECT 77 18 CONECT 78 20 CONECT 79 21 CONECT 80 23 CONECT 81 24 CONECT 82 25 CONECT 83 26 CONECT 84 28 CONECT 85 34 CONECT 86 35 CONECT 87 37 CONECT 88 40 CONECT 89 42 CONECT 90 44 CONECT 91 46 CONECT 92 46 CONECT 93 46 CONECT 94 48 CONECT 95 51 CONECT 96 52 MASTER 0 0 0 0 0 0 0 0 96 0 208 0 END SMILES for NP0042764 (MBJ-0038)[H]OC1=C(O[H])C(O[H])=C(C2=C1[C@]1([H])O[C@@]2([H])[C@@]2([H])C(=O)[C@@]34C(=O)N([H])[C@@]([H])(C([H])([H])C5=C([H])N([H])C6=C([H])C([H])=C([H])C([H])=C56)[C@]3([H])[C@]([H])(C([H])([H])[H])[C@]3(O[C@@]3([H])[C@]4([H])\C([H])=C([H])/C([H])([H])[C@]([H])(\C([H])=C(C([H])([H])[H])/[C@]([H])(O[H])C(=O)[C@]12[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0042764 (MBJ-0038)InChI=1S/C41H44N2O9/c1-16-9-8-11-22-38-40(5,52-38)19(4)29-24(14-20-15-42-23-12-7-6-10-21(20)23)43-39(50)41(22,29)37(49)28-27(32(46)30(44)17(2)13-16)36-26-25(35(28)51-36)18(3)31(45)34(48)33(26)47/h6-8,10-13,15-16,19,22,24,27-30,35-36,38,42,44-45,47-48H,9,14H2,1-5H3,(H,43,50)/b11-8-,17-13-/t16-,19+,22+,24+,27-,28+,29+,30+,35-,36+,38+,40-,41+/m1/s1 3D Structure for NP0042764 (MBJ-0038) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C41H44N2O9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 708.8080 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 708.30468 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (1S,2S,4R,7S,8R,9S,10R,12S,13R,14Z,17R,18Z,20S,22S,23R)-20,25,26,27-tetrahydroxy-7-[(1H-indol-3-yl)methyl]-9,10,17,19,28-pentamethyl-11,30-dioxa-6-azaheptacyclo[21.6.1.0^{2,22}.0^{4,8}.0^{4,13}.0^{10,12}.0^{24,29}]triaconta-14,18,24(29),25,27-pentaene-3,5,21-trione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (1S,2S,4R,7S,8R,9S,10R,12S,13R,14Z,17R,18Z,20S,22S,23R)-20,25,26,27-tetrahydroxy-7-(1H-indol-3-ylmethyl)-9,10,17,19,28-pentamethyl-11,30-dioxa-6-azaheptacyclo[21.6.1.0^{2,22}.0^{4,8}.0^{4,13}.0^{10,12}.0^{24,29}]triaconta-14,18,24(29),25,27-pentaene-3,5,21-trione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]OC1=C(O[H])C(O[H])=C(C2=C1[C@]1([H])O[C@@]2([H])[C@@]2([H])C(=O)[C@@]34C(=O)N([H])[C@@]([H])(C([H])([H])C5=C([H])N([H])C6=C([H])C([H])=C([H])C([H])=C56)[C@]3([H])[C@]([H])(C([H])([H])[H])[C@]3(O[C@@]3([H])[C@]4([H])\C([H])=C([H])/C([H])([H])[C@]([H])(\C([H])=C(C([H])([H])[H])/[C@]([H])(O[H])C(=O)[C@]12[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C41H44N2O9/c1-16-9-8-11-22-38-40(5,52-38)19(4)29-24(14-20-15-42-23-12-7-6-10-21(20)23)43-39(50)41(22,29)37(49)28-27(32(46)30(44)17(2)13-16)36-26-25(35(28)51-36)18(3)31(45)34(48)33(26)47/h6-8,10-13,15-16,19,22,24,27-30,35-36,38,42,44-45,47-48H,9,14H2,1-5H3,(H,43,50)/b11-8-,17-13-/t16-,19+,22+,24+,27-,28+,29+,30+,35-,36+,38+,40-,41+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | FDDXKKASNKWHAO-UZPPTEPOSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|