Showing NP-Card for Ganosinensin B (NP0008406)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 06:00:05 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:00:19 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0008406 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Ganosinensin B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Ganosinensin B is found in Ganoderma sinense. It was first documented in 2009 (PMID: 19331378). Based on a literature review very few articles have been published on 1-(2,5-dihydroxyphenyl)-5-(1,2-dihydroxypropan-2-yl)-3-(9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl)-8-{2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadeca-1(17),9-dien-14-yl}non-2-ene-1,4-dione. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0008406 (Ganosinensin B)Mrv1652307012119553D 131135 0 0 0 0 999 V2000 10.1878 4.4899 -1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8496 5.1675 -1.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7609 4.5124 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 3.1228 -0.5114 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9340 2.2912 -1.4953 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8981 0.8777 -1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2681 0.2163 -0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8765 0.1513 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 0.6286 -0.7764 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8178 0.4870 0.5487 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7705 -0.9185 1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 -1.0731 2.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8654 -2.0442 3.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 -1.5195 4.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -3.4785 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -4.2488 2.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -5.6125 2.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 -6.3025 0.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 -6.3127 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 -5.6058 4.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 -4.2100 4.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2714 -3.6271 5.5837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -1.7236 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 -2.6588 1.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 -1.4793 -0.6792 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5128 -1.8441 -0.3180 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4157 -1.6591 -1.4222 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8857 -1.9420 -1.0287 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0666 -3.3199 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3426 -0.8272 -0.1645 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2426 0.4630 -0.9369 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4245 1.2973 -0.5485 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0472 0.5639 0.6491 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2697 1.0280 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4838 0.8678 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 1.6287 1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4241 1.8678 1.7999 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8265 2.1749 0.3548 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1227 2.9010 0.2507 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4847 3.6392 1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0726 3.9553 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2687 2.0100 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3784 2.5239 -0.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1797 0.5814 -0.3677 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8657 -0.0558 -0.0633 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7666 0.9097 -0.4334 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8194 1.2391 -1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4002 0.3026 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0101 -0.7498 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7294 -1.4079 -0.7221 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7760 -0.8762 0.2776 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9023 -1.6501 1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5717 -2.4095 -1.6600 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1027 -2.1427 -3.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 -2.3743 -1.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -3.8724 -1.4585 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4887 -4.4442 -0.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7976 6.5631 -1.8565 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3445 6.6122 -3.1565 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2477 3.6430 -1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2702 4.1412 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0022 5.2241 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8041 5.0220 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 2.7538 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2914 3.0536 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 2.7977 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5359 2.3509 -2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 0.5156 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1143 -0.8614 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.5493 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 -0.9082 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 0.2428 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4664 1.7657 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 1.1860 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7801 0.8910 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -0.0379 2.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5305 -3.7671 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -6.4899 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2668 -7.3782 3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -6.1456 5.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -2.7250 5.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -0.4524 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5654 -2.8665 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 -1.1749 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -2.1690 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 -0.5584 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 -1.9140 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -3.3796 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 -3.9457 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 -3.8413 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -0.8288 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 0.9844 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 0.2079 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1883 1.3853 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 2.3434 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3559 2.1540 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 0.8301 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 0.6981 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 2.0304 2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9444 1.0112 2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6134 2.7427 2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0154 2.8478 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6368 2.9538 2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6826 4.4033 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4066 4.2407 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1558 4.9891 -0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0763 3.9273 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8273 3.7854 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4142 0.4067 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0036 0.0729 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7213 -0.9716 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7719 -0.3630 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9801 1.9333 -2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6652 0.3593 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7825 1.7014 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7114 -1.1530 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3011 -1.5041 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 -2.4839 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -1.6349 2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6338 -1.1227 2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3326 -2.6574 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5849 -2.9658 -3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 -1.1322 -3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0717 -2.0522 -3.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 -2.0130 -2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -4.4224 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 -3.9353 -1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8446 -5.1443 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4361 7.1960 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7406 6.9039 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1946 6.0714 -3.1149 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 6 7 1 0 0 0 0 6 8 2 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 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 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 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 11 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 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 1 0 0 0 33 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 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 6 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 1 0 0 0 25 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 6 0 0 0 53 56 1 0 0 0 0 56 57 1 0 0 0 0 2 58 1 0 0 0 0 58 59 1 0 0 0 0 21 15 1 0 0 0 0 51 30 1 0 0 0 0 51 33 1 0 0 0 0 48 35 1 0 0 0 0 46 38 1 0 0 0 0 1 60 1 0 0 0 0 1 61 1 0 0 0 0 1 62 1 0 0 0 0 3 63 1 0 0 0 0 4 64 1 0 0 0 0 4 65 1 0 0 0 0 5 66 1 0 0 0 0 5 67 1 0 0 0 0 7 68 1 0 0 0 0 7 69 1 0 0 0 0 7 70 1 0 0 0 0 8 71 1 0 0 0 0 9 72 1 0 0 0 0 9 73 1 0 0 0 0 10 74 1 0 0 0 0 10 75 1 0 0 0 0 12 76 1 0 0 0 0 16 77 1 0 0 0 0 18 78 1 0 0 0 0 19 79 1 0 0 0 0 20 80 1 0 0 0 0 22 81 1 0 0 0 0 25 82 1 6 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 87 1 6 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 91 1 1 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 34 96 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 36 99 1 0 0 0 0 37100 1 0 0 0 0 37101 1 0 0 0 0 38102 1 6 0 0 0 40103 1 0 0 0 0 40104 1 0 0 0 0 40105 1 0 0 0 0 41106 1 0 0 0 0 41107 1 0 0 0 0 41108 1 0 0 0 0 44109 1 0 0 0 0 44110 1 0 0 0 0 45111 1 0 0 0 0 45112 1 0 0 0 0 47113 1 0 0 0 0 47114 1 0 0 0 0 47115 1 0 0 0 0 49116 1 0 0 0 0 50117 1 0 0 0 0 50118 1 0 0 0 0 52119 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 54122 1 0 0 0 0 54123 1 0 0 0 0 54124 1 0 0 0 0 55125 1 0 0 0 0 56126 1 0 0 0 0 56127 1 0 0 0 0 57128 1 0 0 0 0 58129 1 0 0 0 0 58130 1 0 0 0 0 59131 1 0 0 0 0 M END 3D MOL for NP0008406 (Ganosinensin B)RDKit 3D 131135 0 0 0 0 0 0 0 0999 V2000 10.1878 4.4899 -1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8496 5.1675 -1.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7609 4.5124 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 3.1228 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 2.2912 -1.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 0.8777 -1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2681 0.2163 -0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8765 0.1513 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 0.6286 -0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8178 0.4870 0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 -0.9185 1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 -1.0731 2.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8654 -2.0442 3.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 -1.5195 4.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -3.4785 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -4.2488 2.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -5.6125 2.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 -6.3025 0.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 -6.3127 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 -5.6058 4.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 -4.2100 4.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2714 -3.6271 5.5837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -1.7236 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 -2.6588 1.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 -1.4793 -0.6792 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5128 -1.8441 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 -1.6591 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 -1.9420 -1.0287 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0666 -3.3199 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3426 -0.8272 -0.1645 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2426 0.4630 -0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4245 1.2973 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0472 0.5639 0.6491 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2697 1.0280 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4838 0.8678 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 1.6287 1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4241 1.8678 1.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8265 2.1749 0.3548 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1227 2.9010 0.2507 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4847 3.6392 1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0726 3.9553 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2687 2.0100 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3784 2.5239 -0.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1797 0.5814 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8657 -0.0558 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7666 0.9097 -0.4334 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8194 1.2391 -1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4002 0.3026 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0101 -0.7498 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7294 -1.4079 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -0.8762 0.2776 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9023 -1.6501 1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5717 -2.4095 -1.6600 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1027 -2.1427 -3.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 -2.3743 -1.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -3.8724 -1.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 -4.4442 -0.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7976 6.5631 -1.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3445 6.6122 -3.1565 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2477 3.6430 -1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2702 4.1412 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0022 5.2241 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8041 5.0220 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 2.7538 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2914 3.0536 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 2.7977 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5359 2.3509 -2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 0.5156 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1143 -0.8614 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.5493 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 -0.9082 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 0.2428 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4664 1.7657 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 1.1860 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7801 0.8910 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -0.0379 2.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5305 -3.7671 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -6.4899 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2668 -7.3782 3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -6.1456 5.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -2.7250 5.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -0.4524 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5654 -2.8665 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 -1.1749 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -2.1690 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 -0.5584 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 -1.9140 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -3.3796 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 -3.9457 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 -3.8413 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -0.8288 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 0.9844 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 0.2079 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1883 1.3853 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 2.3434 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3559 2.1540 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 0.8301 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 0.6981 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 2.0304 2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9444 1.0112 2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6134 2.7427 2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0154 2.8478 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6368 2.9538 2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6826 4.4033 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4066 4.2407 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1558 4.9891 -0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0763 3.9273 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8273 3.7854 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4142 0.4067 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0036 0.0729 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7213 -0.9716 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7719 -0.3630 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9801 1.9333 -2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6652 0.3593 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7825 1.7014 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7114 -1.1530 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3011 -1.5041 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 -2.4839 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -1.6349 2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6338 -1.1227 2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3326 -2.6574 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5849 -2.9658 -3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 -1.1322 -3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0717 -2.0522 -3.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 -2.0130 -2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -4.4224 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 -3.9353 -1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8446 -5.1443 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4361 7.1960 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7406 6.9039 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1946 6.0714 -3.1149 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 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 11 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 1 33 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 1 39 41 1 0 39 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 6 46 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 1 25 53 1 0 53 54 1 0 53 55 1 6 53 56 1 0 56 57 1 0 2 58 1 0 58 59 1 0 21 15 1 0 51 30 1 0 51 33 1 0 48 35 1 0 46 38 1 0 1 60 1 0 1 61 1 0 1 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 7 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 12 76 1 0 16 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 22 81 1 0 25 82 1 6 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 28 87 1 6 29 88 1 0 29 89 1 0 29 90 1 0 30 91 1 1 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 34 96 1 0 34 97 1 0 34 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 6 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 41108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 47113 1 0 47114 1 0 47115 1 0 49116 1 0 50117 1 0 50118 1 0 52119 1 0 52120 1 0 52121 1 0 54122 1 0 54123 1 0 54124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 M END 3D SDF for NP0008406 (Ganosinensin B)Mrv1652307012119553D 131135 0 0 0 0 999 V2000 10.1878 4.4899 -1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8496 5.1675 -1.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7609 4.5124 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 3.1228 -0.5114 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9340 2.2912 -1.4953 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8981 0.8777 -1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2681 0.2163 -0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8765 0.1513 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 0.6286 -0.7764 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8178 0.4870 0.5487 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7705 -0.9185 1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 -1.0731 2.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8654 -2.0442 3.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 -1.5195 4.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -3.4785 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -4.2488 2.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -5.6125 2.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 -6.3025 0.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 -6.3127 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 -5.6058 4.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 -4.2100 4.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2714 -3.6271 5.5837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -1.7236 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 -2.6588 1.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 -1.4793 -0.6792 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5128 -1.8441 -0.3180 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4157 -1.6591 -1.4222 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8857 -1.9420 -1.0287 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0666 -3.3199 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3426 -0.8272 -0.1645 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2426 0.4630 -0.9369 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4245 1.2973 -0.5485 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0472 0.5639 0.6491 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2697 1.0280 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4838 0.8678 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 1.6287 1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4241 1.8678 1.7999 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8265 2.1749 0.3548 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1227 2.9010 0.2507 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4847 3.6392 1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0726 3.9553 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2687 2.0100 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3784 2.5239 -0.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1797 0.5814 -0.3677 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8657 -0.0558 -0.0633 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7666 0.9097 -0.4334 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8194 1.2391 -1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4002 0.3026 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0101 -0.7498 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7294 -1.4079 -0.7221 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7760 -0.8762 0.2776 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9023 -1.6501 1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5717 -2.4095 -1.6600 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1027 -2.1427 -3.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 -2.3743 -1.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -3.8724 -1.4585 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4887 -4.4442 -0.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7976 6.5631 -1.8565 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3445 6.6122 -3.1565 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2477 3.6430 -1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2702 4.1412 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0022 5.2241 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8041 5.0220 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 2.7538 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2914 3.0536 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 2.7977 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5359 2.3509 -2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 0.5156 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1143 -0.8614 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.5493 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 -0.9082 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 0.2428 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4664 1.7657 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 1.1860 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7801 0.8910 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -0.0379 2.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5305 -3.7671 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -6.4899 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2668 -7.3782 3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -6.1456 5.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -2.7250 5.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -0.4524 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5654 -2.8665 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 -1.1749 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -2.1690 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 -0.5584 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 -1.9140 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -3.3796 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 -3.9457 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 -3.8413 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -0.8288 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 0.9844 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 0.2079 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1883 1.3853 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 2.3434 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3559 2.1540 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 0.8301 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 0.6981 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 2.0304 2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9444 1.0112 2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6134 2.7427 2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0154 2.8478 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6368 2.9538 2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6826 4.4033 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4066 4.2407 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1558 4.9891 -0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0763 3.9273 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8273 3.7854 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4142 0.4067 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0036 0.0729 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7213 -0.9716 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7719 -0.3630 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9801 1.9333 -2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6652 0.3593 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7825 1.7014 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7114 -1.1530 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3011 -1.5041 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 -2.4839 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -1.6349 2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6338 -1.1227 2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3326 -2.6574 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5849 -2.9658 -3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 -1.1322 -3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0717 -2.0522 -3.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 -2.0130 -2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -4.4224 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 -3.9353 -1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8446 -5.1443 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4361 7.1960 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7406 6.9039 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1946 6.0714 -3.1149 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 6 7 1 0 0 0 0 6 8 2 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 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 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 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 11 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 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 1 0 0 0 33 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 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 6 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 1 0 0 0 25 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 6 0 0 0 53 56 1 0 0 0 0 56 57 1 0 0 0 0 2 58 1 0 0 0 0 58 59 1 0 0 0 0 21 15 1 0 0 0 0 51 30 1 0 0 0 0 51 33 1 0 0 0 0 48 35 1 0 0 0 0 46 38 1 0 0 0 0 1 60 1 0 0 0 0 1 61 1 0 0 0 0 1 62 1 0 0 0 0 3 63 1 0 0 0 0 4 64 1 0 0 0 0 4 65 1 0 0 0 0 5 66 1 0 0 0 0 5 67 1 0 0 0 0 7 68 1 0 0 0 0 7 69 1 0 0 0 0 7 70 1 0 0 0 0 8 71 1 0 0 0 0 9 72 1 0 0 0 0 9 73 1 0 0 0 0 10 74 1 0 0 0 0 10 75 1 0 0 0 0 12 76 1 0 0 0 0 16 77 1 0 0 0 0 18 78 1 0 0 0 0 19 79 1 0 0 0 0 20 80 1 0 0 0 0 22 81 1 0 0 0 0 25 82 1 6 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 87 1 6 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 91 1 1 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 34 96 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 36 99 1 0 0 0 0 37100 1 0 0 0 0 37101 1 0 0 0 0 38102 1 6 0 0 0 40103 1 0 0 0 0 40104 1 0 0 0 0 40105 1 0 0 0 0 41106 1 0 0 0 0 41107 1 0 0 0 0 41108 1 0 0 0 0 44109 1 0 0 0 0 44110 1 0 0 0 0 45111 1 0 0 0 0 45112 1 0 0 0 0 47113 1 0 0 0 0 47114 1 0 0 0 0 47115 1 0 0 0 0 49116 1 0 0 0 0 50117 1 0 0 0 0 50118 1 0 0 0 0 52119 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 54122 1 0 0 0 0 54123 1 0 0 0 0 54124 1 0 0 0 0 55125 1 0 0 0 0 56126 1 0 0 0 0 56127 1 0 0 0 0 57128 1 0 0 0 0 58129 1 0 0 0 0 58130 1 0 0 0 0 59131 1 0 0 0 0 M END > <DATABASE_ID> NP0008406 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C([H])C([H])=C(O[H])C(=C1[H])C(=O)C(\[H])=C(/C(=O)[C@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C([H])C([H])([H])[C@]4([H])C(C(=O)C([H])([H])C([H])([H])[C@@]4(C3=C([H])C([H])([H])[C@@]12C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@](O[H])(C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])O[H] > <INCHI_IDENTIFIER> InChI=1S/C51H72O8/c1-32(12-10-14-33(2)30-52)13-11-15-35(28-43(56)37-29-36(54)17-20-42(37)55)46(58)41(51(9,59)31-53)18-16-34(3)38-22-26-50(8)40-19-21-44-47(4,5)45(57)24-25-48(44,6)39(40)23-27-49(38,50)7/h13-14,17,19-20,23,28-29,34,38,41,44,52-55,59H,10-12,15-16,18,21-22,24-27,30-31H2,1-9H3/b32-13-,33-14+,35-28-/t34-,38-,41+,44-,48-,49+,50+,51+/m1/s1 > <INCHI_KEY> FCXACZVBPVKBND-UHFFFAOYSA-N > <FORMULA> C51H72O8 > <MOLECULAR_WEIGHT> 813.129 > <EXACT_MASS> 812.522719278 > <JCHEM_ACCEPTOR_COUNT> 8 > <JCHEM_ATOM_COUNT> 131 > <JCHEM_AVERAGE_POLARIZABILITY> 95.95683316147054 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 5 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2Z,5R,8R)-1-(2,5-dihydroxyphenyl)-5-[(2R)-1,2-dihydroxypropan-2-yl]-3-[(3Z,7E)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]-8-[(2S,7S,11R,14R,15S)-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-14-yl]non-2-ene-1,4-dione > <ALOGPS_LOGP> 7.53 > <JCHEM_LOGP> 9.917858566999996 > <ALOGPS_LOGS> -6.02 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 10.257593197742297 > <JCHEM_PKA_STRONGEST_ACIDIC> 7.624961699106147 > <JCHEM_PKA_STRONGEST_BASIC> -2.0797068162575387 > <JCHEM_POLAR_SURFACE_AREA> 152.35999999999999 > <JCHEM_REFRACTIVITY> 240.48500000000007 > <JCHEM_ROTATABLE_BOND_COUNT> 17 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 7.74e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> (2Z,5R,8R)-1-(2,5-dihydroxyphenyl)-5-[(2R)-1,2-dihydroxypropan-2-yl]-3-[(3Z,7E)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]-8-[(2S,7S,11R,14R,15S)-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-14-yl]non-2-ene-1,4-dione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0008406 (Ganosinensin B)RDKit 3D 131135 0 0 0 0 0 0 0 0999 V2000 10.1878 4.4899 -1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8496 5.1675 -1.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7609 4.5124 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 3.1228 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 2.2912 -1.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 0.8777 -1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2681 0.2163 -0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8765 0.1513 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 0.6286 -0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8178 0.4870 0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 -0.9185 1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 -1.0731 2.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8654 -2.0442 3.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 -1.5195 4.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -3.4785 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -4.2488 2.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -5.6125 2.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 -6.3025 0.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 -6.3127 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 -5.6058 4.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 -4.2100 4.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2714 -3.6271 5.5837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -1.7236 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 -2.6588 1.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 -1.4793 -0.6792 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5128 -1.8441 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 -1.6591 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 -1.9420 -1.0287 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0666 -3.3199 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3426 -0.8272 -0.1645 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2426 0.4630 -0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4245 1.2973 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0472 0.5639 0.6491 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2697 1.0280 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4838 0.8678 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 1.6287 1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4241 1.8678 1.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8265 2.1749 0.3548 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1227 2.9010 0.2507 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4847 3.6392 1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0726 3.9553 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2687 2.0100 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3784 2.5239 -0.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1797 0.5814 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8657 -0.0558 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7666 0.9097 -0.4334 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8194 1.2391 -1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4002 0.3026 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0101 -0.7498 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7294 -1.4079 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -0.8762 0.2776 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9023 -1.6501 1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5717 -2.4095 -1.6600 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1027 -2.1427 -3.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 -2.3743 -1.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -3.8724 -1.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 -4.4442 -0.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7976 6.5631 -1.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3445 6.6122 -3.1565 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2477 3.6430 -1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2702 4.1412 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0022 5.2241 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8041 5.0220 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 2.7538 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2914 3.0536 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 2.7977 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5359 2.3509 -2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 0.5156 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1143 -0.8614 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.5493 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 -0.9082 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 0.2428 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4664 1.7657 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 1.1860 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7801 0.8910 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -0.0379 2.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5305 -3.7671 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -6.4899 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2668 -7.3782 3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -6.1456 5.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -2.7250 5.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -0.4524 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5654 -2.8665 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 -1.1749 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -2.1690 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 -0.5584 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 -1.9140 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -3.3796 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 -3.9457 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 -3.8413 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -0.8288 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 0.9844 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 0.2079 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1883 1.3853 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 2.3434 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3559 2.1540 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 0.8301 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 0.6981 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 2.0304 2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9444 1.0112 2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6134 2.7427 2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0154 2.8478 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6368 2.9538 2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6826 4.4033 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4066 4.2407 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1558 4.9891 -0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0763 3.9273 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8273 3.7854 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4142 0.4067 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0036 0.0729 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7213 -0.9716 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7719 -0.3630 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9801 1.9333 -2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6652 0.3593 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7825 1.7014 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7114 -1.1530 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3011 -1.5041 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 -2.4839 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -1.6349 2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6338 -1.1227 2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3326 -2.6574 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5849 -2.9658 -3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 -1.1322 -3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0717 -2.0522 -3.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 -2.0130 -2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -4.4224 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 -3.9353 -1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8446 -5.1443 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4361 7.1960 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7406 6.9039 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1946 6.0714 -3.1149 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 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 11 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 1 33 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 1 39 41 1 0 39 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 6 46 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 1 25 53 1 0 53 54 1 0 53 55 1 6 53 56 1 0 56 57 1 0 2 58 1 0 58 59 1 0 21 15 1 0 51 30 1 0 51 33 1 0 48 35 1 0 46 38 1 0 1 60 1 0 1 61 1 0 1 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 7 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 12 76 1 0 16 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 22 81 1 0 25 82 1 6 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 28 87 1 6 29 88 1 0 29 89 1 0 29 90 1 0 30 91 1 1 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 34 96 1 0 34 97 1 0 34 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 6 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 41108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 47113 1 0 47114 1 0 47115 1 0 49116 1 0 50117 1 0 50118 1 0 52119 1 0 52120 1 0 52121 1 0 54122 1 0 54123 1 0 54124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 M END PDB for NP0008406 (Ganosinensin B)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 10.188 4.490 -1.231 0.00 0.00 C+0 HETATM 2 C UNK 0 8.850 5.168 -1.352 0.00 0.00 C+0 HETATM 3 C UNK 0 7.761 4.512 -1.014 0.00 0.00 C+0 HETATM 4 C UNK 0 7.773 3.123 -0.511 0.00 0.00 C+0 HETATM 5 C UNK 0 6.934 2.291 -1.495 0.00 0.00 C+0 HETATM 6 C UNK 0 6.898 0.878 -1.069 0.00 0.00 C+0 HETATM 7 C UNK 0 8.268 0.216 -0.989 0.00 0.00 C+0 HETATM 8 C UNK 0 5.877 0.151 -0.761 0.00 0.00 C+0 HETATM 9 C UNK 0 4.465 0.629 -0.776 0.00 0.00 C+0 HETATM 10 C UNK 0 3.818 0.487 0.549 0.00 0.00 C+0 HETATM 11 C UNK 0 3.771 -0.919 1.127 0.00 0.00 C+0 HETATM 12 C UNK 0 4.480 -1.073 2.198 0.00 0.00 C+0 HETATM 13 C UNK 0 4.865 -2.044 3.142 0.00 0.00 C+0 HETATM 14 O UNK 0 5.416 -1.520 4.225 0.00 0.00 O+0 HETATM 15 C UNK 0 4.812 -3.478 3.210 0.00 0.00 C+0 HETATM 16 C UNK 0 4.690 -4.249 2.059 0.00 0.00 C+0 HETATM 17 C UNK 0 4.845 -5.612 2.010 0.00 0.00 C+0 HETATM 18 O UNK 0 4.702 -6.303 0.818 0.00 0.00 O+0 HETATM 19 C UNK 0 5.150 -6.313 3.169 0.00 0.00 C+0 HETATM 20 C UNK 0 5.282 -5.606 4.322 0.00 0.00 C+0 HETATM 21 C UNK 0 5.119 -4.210 4.364 0.00 0.00 C+0 HETATM 22 O UNK 0 5.271 -3.627 5.584 0.00 0.00 O+0 HETATM 23 C UNK 0 2.660 -1.724 0.665 0.00 0.00 C+0 HETATM 24 O UNK 0 2.243 -2.659 1.392 0.00 0.00 O+0 HETATM 25 C UNK 0 1.969 -1.479 -0.679 0.00 0.00 C+0 HETATM 26 C UNK 0 0.513 -1.844 -0.318 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.416 -1.659 -1.422 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.886 -1.942 -1.029 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.067 -3.320 -0.533 0.00 0.00 C+0 HETATM 30 C UNK 0 -2.343 -0.827 -0.165 0.00 0.00 C+0 HETATM 31 C UNK 0 -2.243 0.463 -0.937 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.425 1.297 -0.549 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.047 0.564 0.649 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.270 1.028 1.849 0.00 0.00 C+0 HETATM 35 C UNK 0 -5.484 0.868 0.785 0.00 0.00 C+0 HETATM 36 C UNK 0 -5.963 1.629 1.763 0.00 0.00 C+0 HETATM 37 C UNK 0 -7.424 1.868 1.800 0.00 0.00 C+0 HETATM 38 C UNK 0 -7.827 2.175 0.355 0.00 0.00 C+0 HETATM 39 C UNK 0 -9.123 2.901 0.251 0.00 0.00 C+0 HETATM 40 C UNK 0 -9.485 3.639 1.544 0.00 0.00 C+0 HETATM 41 C UNK 0 -9.073 3.955 -0.840 0.00 0.00 C+0 HETATM 42 C UNK 0 -10.269 2.010 -0.065 0.00 0.00 C+0 HETATM 43 O UNK 0 -11.378 2.524 -0.069 0.00 0.00 O+0 HETATM 44 C UNK 0 -10.180 0.581 -0.368 0.00 0.00 C+0 HETATM 45 C UNK 0 -8.866 -0.056 -0.063 0.00 0.00 C+0 HETATM 46 C UNK 0 -7.767 0.910 -0.433 0.00 0.00 C+0 HETATM 47 C UNK 0 -7.819 1.239 -1.901 0.00 0.00 C+0 HETATM 48 C UNK 0 -6.400 0.303 -0.194 0.00 0.00 C+0 HETATM 49 C UNK 0 -6.010 -0.750 -0.868 0.00 0.00 C+0 HETATM 50 C UNK 0 -4.729 -1.408 -0.722 0.00 0.00 C+0 HETATM 51 C UNK 0 -3.776 -0.876 0.278 0.00 0.00 C+0 HETATM 52 C UNK 0 -3.902 -1.650 1.607 0.00 0.00 C+0 HETATM 53 C UNK 0 2.572 -2.410 -1.660 0.00 0.00 C+0 HETATM 54 C UNK 0 2.103 -2.143 -3.091 0.00 0.00 C+0 HETATM 55 O UNK 0 3.943 -2.374 -1.629 0.00 0.00 O+0 HETATM 56 C UNK 0 2.102 -3.872 -1.458 0.00 0.00 C+0 HETATM 57 O UNK 0 2.489 -4.444 -0.308 0.00 0.00 O+0 HETATM 58 C UNK 0 8.798 6.563 -1.857 0.00 0.00 C+0 HETATM 59 O UNK 0 9.345 6.612 -3.156 0.00 0.00 O+0 HETATM 60 H UNK 0 10.248 3.643 -1.962 0.00 0.00 H+0 HETATM 61 H UNK 0 10.270 4.141 -0.183 0.00 0.00 H+0 HETATM 62 H UNK 0 11.002 5.224 -1.450 0.00 0.00 H+0 HETATM 63 H UNK 0 6.804 5.022 -1.108 0.00 0.00 H+0 HETATM 64 H UNK 0 8.818 2.754 -0.496 0.00 0.00 H+0 HETATM 65 H UNK 0 7.291 3.054 0.486 0.00 0.00 H+0 HETATM 66 H UNK 0 5.981 2.798 -1.583 0.00 0.00 H+0 HETATM 67 H UNK 0 7.536 2.351 -2.455 0.00 0.00 H+0 HETATM 68 H UNK 0 8.798 0.516 -0.084 0.00 0.00 H+0 HETATM 69 H UNK 0 8.114 -0.861 -1.117 0.00 0.00 H+0 HETATM 70 H UNK 0 8.803 0.549 -1.920 0.00 0.00 H+0 HETATM 71 H UNK 0 5.987 -0.908 -0.454 0.00 0.00 H+0 HETATM 72 H UNK 0 3.916 0.243 -1.611 0.00 0.00 H+0 HETATM 73 H UNK 0 4.466 1.766 -0.960 0.00 0.00 H+0 HETATM 74 H UNK 0 4.345 1.186 1.253 0.00 0.00 H+0 HETATM 75 H UNK 0 2.780 0.891 0.491 0.00 0.00 H+0 HETATM 76 H UNK 0 5.010 -0.038 2.508 0.00 0.00 H+0 HETATM 77 H UNK 0 4.531 -3.767 1.104 0.00 0.00 H+0 HETATM 78 H UNK 0 5.451 -6.490 0.172 0.00 0.00 H+0 HETATM 79 H UNK 0 5.267 -7.378 3.106 0.00 0.00 H+0 HETATM 80 H UNK 0 5.519 -6.146 5.215 0.00 0.00 H+0 HETATM 81 H UNK 0 5.193 -2.725 5.897 0.00 0.00 H+0 HETATM 82 H UNK 0 1.965 -0.452 -0.962 0.00 0.00 H+0 HETATM 83 H UNK 0 0.565 -2.866 0.111 0.00 0.00 H+0 HETATM 84 H UNK 0 0.240 -1.175 0.525 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.213 -2.169 -2.381 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.391 -0.558 -1.708 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.395 -1.914 -2.052 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.214 -3.380 0.579 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.201 -3.946 -0.817 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.942 -3.841 -1.030 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.707 -0.829 0.747 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.276 0.984 -0.761 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.370 0.208 -2.030 0.00 0.00 H+0 HETATM 94 H UNK 0 -4.188 1.385 -1.365 0.00 0.00 H+0 HETATM 95 H UNK 0 -3.160 2.343 -0.269 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.356 2.154 1.841 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.203 0.830 1.762 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.686 0.698 2.809 0.00 0.00 H+0 HETATM 99 H UNK 0 -5.271 2.030 2.476 0.00 0.00 H+0 HETATM 100 H UNK 0 -7.944 1.011 2.224 0.00 0.00 H+0 HETATM 101 H UNK 0 -7.613 2.743 2.457 0.00 0.00 H+0 HETATM 102 H UNK 0 -7.015 2.848 -0.035 0.00 0.00 H+0 HETATM 103 H UNK 0 -9.637 2.954 2.377 0.00 0.00 H+0 HETATM 104 H UNK 0 -8.683 4.403 1.717 0.00 0.00 H+0 HETATM 105 H UNK 0 -10.407 4.241 1.294 0.00 0.00 H+0 HETATM 106 H UNK 0 -9.156 4.989 -0.436 0.00 0.00 H+0 HETATM 107 H UNK 0 -8.076 3.927 -1.349 0.00 0.00 H+0 HETATM 108 H UNK 0 -9.827 3.785 -1.635 0.00 0.00 H+0 HETATM 109 H UNK 0 -10.414 0.407 -1.454 0.00 0.00 H+0 HETATM 110 H UNK 0 -11.004 0.073 0.212 0.00 0.00 H+0 HETATM 111 H UNK 0 -8.721 -0.972 -0.683 0.00 0.00 H+0 HETATM 112 H UNK 0 -8.772 -0.363 0.977 0.00 0.00 H+0 HETATM 113 H UNK 0 -6.980 1.933 -2.122 0.00 0.00 H+0 HETATM 114 H UNK 0 -7.665 0.359 -2.558 0.00 0.00 H+0 HETATM 115 H UNK 0 -8.783 1.701 -2.204 0.00 0.00 H+0 HETATM 116 H UNK 0 -6.711 -1.153 -1.590 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.301 -1.504 -1.755 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.941 -2.484 -0.432 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.917 -1.635 2.066 0.00 0.00 H+0 HETATM 120 H UNK 0 -4.634 -1.123 2.249 0.00 0.00 H+0 HETATM 121 H UNK 0 -4.333 -2.657 1.437 0.00 0.00 H+0 HETATM 122 H UNK 0 1.585 -2.966 -3.565 0.00 0.00 H+0 HETATM 123 H UNK 0 1.663 -1.132 -3.208 0.00 0.00 H+0 HETATM 124 H UNK 0 3.072 -2.052 -3.696 0.00 0.00 H+0 HETATM 125 H UNK 0 4.290 -2.013 -2.481 0.00 0.00 H+0 HETATM 126 H UNK 0 2.565 -4.422 -2.343 0.00 0.00 H+0 HETATM 127 H UNK 0 1.014 -3.935 -1.593 0.00 0.00 H+0 HETATM 128 H UNK 0 1.845 -5.144 -0.041 0.00 0.00 H+0 HETATM 129 H UNK 0 9.436 7.196 -1.223 0.00 0.00 H+0 HETATM 130 H UNK 0 7.741 6.904 -1.889 0.00 0.00 H+0 HETATM 131 H UNK 0 10.195 6.071 -3.115 0.00 0.00 H+0 CONECT 1 2 60 61 62 CONECT 2 1 3 58 CONECT 3 2 4 63 CONECT 4 3 5 64 65 CONECT 5 4 6 66 67 CONECT 6 5 7 8 CONECT 7 6 68 69 70 CONECT 8 6 9 71 CONECT 9 8 10 72 73 CONECT 10 9 11 74 75 CONECT 11 10 12 23 CONECT 12 11 13 76 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 21 CONECT 16 15 17 77 CONECT 17 16 18 19 CONECT 18 17 78 CONECT 19 17 20 79 CONECT 20 19 21 80 CONECT 21 20 22 15 CONECT 22 21 81 CONECT 23 11 24 25 CONECT 24 23 CONECT 25 23 26 53 82 CONECT 26 25 27 83 84 CONECT 27 26 28 85 86 CONECT 28 27 29 30 87 CONECT 29 28 88 89 90 CONECT 30 28 31 51 91 CONECT 31 30 32 92 93 CONECT 32 31 33 94 95 CONECT 33 32 34 35 51 CONECT 34 33 96 97 98 CONECT 35 33 36 48 CONECT 36 35 37 99 CONECT 37 36 38 100 101 CONECT 38 37 39 46 102 CONECT 39 38 40 41 42 CONECT 40 39 103 104 105 CONECT 41 39 106 107 108 CONECT 42 39 43 44 CONECT 43 42 CONECT 44 42 45 109 110 CONECT 45 44 46 111 112 CONECT 46 45 47 48 38 CONECT 47 46 113 114 115 CONECT 48 46 49 35 CONECT 49 48 50 116 CONECT 50 49 51 117 118 CONECT 51 50 52 30 33 CONECT 52 51 119 120 121 CONECT 53 25 54 55 56 CONECT 54 53 122 123 124 CONECT 55 53 125 CONECT 56 53 57 126 127 CONECT 57 56 128 CONECT 58 2 59 129 130 CONECT 59 58 131 CONECT 60 1 CONECT 61 1 CONECT 62 1 CONECT 63 3 CONECT 64 4 CONECT 65 4 CONECT 66 5 CONECT 67 5 CONECT 68 7 CONECT 69 7 CONECT 70 7 CONECT 71 8 CONECT 72 9 CONECT 73 9 CONECT 74 10 CONECT 75 10 CONECT 76 12 CONECT 77 16 CONECT 78 18 CONECT 79 19 CONECT 80 20 CONECT 81 22 CONECT 82 25 CONECT 83 26 CONECT 84 26 CONECT 85 27 CONECT 86 27 CONECT 87 28 CONECT 88 29 CONECT 89 29 CONECT 90 29 CONECT 91 30 CONECT 92 31 CONECT 93 31 CONECT 94 32 CONECT 95 32 CONECT 96 34 CONECT 97 34 CONECT 98 34 CONECT 99 36 CONECT 100 37 CONECT 101 37 CONECT 102 38 CONECT 103 40 CONECT 104 40 CONECT 105 40 CONECT 106 41 CONECT 107 41 CONECT 108 41 CONECT 109 44 CONECT 110 44 CONECT 111 45 CONECT 112 45 CONECT 113 47 CONECT 114 47 CONECT 115 47 CONECT 116 49 CONECT 117 50 CONECT 118 50 CONECT 119 52 CONECT 120 52 CONECT 121 52 CONECT 122 54 CONECT 123 54 CONECT 124 54 CONECT 125 55 CONECT 126 56 CONECT 127 56 CONECT 128 57 CONECT 129 58 CONECT 130 58 CONECT 131 59 MASTER 0 0 0 0 0 0 0 0 131 0 270 0 END SMILES for NP0008406 (Ganosinensin B)[H]OC1=C([H])C([H])=C(O[H])C(=C1[H])C(=O)C(\[H])=C(/C(=O)[C@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C([H])C([H])([H])[C@]4([H])C(C(=O)C([H])([H])C([H])([H])[C@@]4(C3=C([H])C([H])([H])[C@@]12C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@](O[H])(C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])O[H] INCHI for NP0008406 (Ganosinensin B)InChI=1S/C51H72O8/c1-32(12-10-14-33(2)30-52)13-11-15-35(28-43(56)37-29-36(54)17-20-42(37)55)46(58)41(51(9,59)31-53)18-16-34(3)38-22-26-50(8)40-19-21-44-47(4,5)45(57)24-25-48(44,6)39(40)23-27-49(38,50)7/h13-14,17,19-20,23,28-29,34,38,41,44,52-55,59H,10-12,15-16,18,21-22,24-27,30-31H2,1-9H3/b32-13-,33-14+,35-28-/t34-,38-,41+,44-,48-,49+,50+,51+/m1/s1 3D Structure for NP0008406 (Ganosinensin B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C51H72O8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 813.1290 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 812.52272 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2Z,5R,8R)-1-(2,5-dihydroxyphenyl)-5-[(2R)-1,2-dihydroxypropan-2-yl]-3-[(3Z,7E)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]-8-[(2S,7S,11R,14R,15S)-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-14-yl]non-2-ene-1,4-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2Z,5R,8R)-1-(2,5-dihydroxyphenyl)-5-[(2R)-1,2-dihydroxypropan-2-yl]-3-[(3Z,7E)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]-8-[(2S,7S,11R,14R,15S)-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-14-yl]non-2-ene-1,4-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(CCC(C(=O)C(CCC=C(C)CCC=C(C)CO)=CC(=O)C1=C(O)C=CC(O)=C1)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C51H72O8/c1-32(12-10-14-33(2)30-52)13-11-15-35(28-43(56)37-29-36(54)17-20-42(37)55)46(58)41(51(9,59)31-53)18-16-34(3)38-22-26-50(8)40-19-21-44-47(4,5)45(57)24-25-48(44,6)39(40)23-27-49(38,50)7/h13-14,17,19-20,23,28-29,34,38,41,44,52-55,59H,10-12,15-16,18,21-22,24-27,30-31H2,1-9H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | FCXACZVBPVKBND-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA014274 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78444280 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139587059 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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