Showing NP-Card for Ganodernoid G (NP0014491)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-05 23:38:36 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:17:25 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0014491 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Ganodernoid G | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Ganodernoid G is found in Ganoderma lucidum. It was first documented in 2015 (PMID: 26222905). Based on a literature review very few articles have been published on (6R)-6-[(2S,5S,7R,11R,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0014491 (Ganodernoid G)Mrv1652307042107073D 85 88 0 0 0 0 999 V2000 -8.7006 1.6654 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 1.3676 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7092 1.3646 -0.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2917 1.0670 1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 0.7901 0.2326 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0659 1.7098 0.2721 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0805 1.3251 1.3549 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3812 0.0944 0.9422 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8956 -0.5733 2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 0.2280 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.8944 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 -2.1689 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 -3.2052 -0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 -2.2174 0.1590 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3417 -0.7876 0.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7814 -0.6348 0.5145 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2109 -1.1362 1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -1.5181 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 -0.6971 -1.4898 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1746 0.1970 -2.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.8307 -2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -2.8377 -2.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -1.5633 -1.9741 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4921 -0.0894 -1.8286 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6630 0.7242 -1.7865 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4150 0.5157 -3.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 0.7008 -0.7041 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3742 -0.5516 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -1.4501 -1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -0.8843 0.6729 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5460 0.2277 1.6112 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4262 -0.4126 2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 1.2293 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 0.9502 -0.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7772 2.3822 1.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.0458 -0.7377 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7491 -0.7485 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 1.4391 -0.4194 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6788 1.7931 0.7961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 1.4396 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 2.5155 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0639 0.7896 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5537 2.0250 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 2.5334 2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6446 0.8580 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 1.5543 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 2.7710 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 2.1457 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 1.0217 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -0.2763 3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -1.6446 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -0.1296 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 -2.7514 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -2.7839 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -0.4575 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -1.9152 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 -1.6280 2.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7138 -0.3092 2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -2.5807 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 -1.2445 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -1.3256 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 0.1973 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.2026 -3.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 1.2430 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 -2.1520 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -1.9010 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 0.2688 -2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.8151 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 1.1401 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 0.9011 -3.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -0.5420 -3.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 1.4690 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 1.0802 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 -1.6867 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 -1.3453 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 0.7129 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8214 -1.0633 3.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -0.9634 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 0.3970 3.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 2.6841 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.6366 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -1.7963 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -0.2946 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 2.2034 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 2.2486 1.4139 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 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 31 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 24 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 16 5 1 0 0 0 0 36 19 1 0 0 0 0 15 8 1 0 0 0 0 40 10 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 5 45 1 6 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 6 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 67 1 6 0 0 0 25 68 1 6 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 76 1 1 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 35 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 38 84 1 6 0 0 0 39 85 1 0 0 0 0 M END 3D MOL for NP0014491 (Ganodernoid G)RDKit 3D 85 88 0 0 0 0 0 0 0 0999 V2000 -8.7006 1.6654 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 1.3676 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7092 1.3646 -0.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2917 1.0670 1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 0.7901 0.2326 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0659 1.7098 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0805 1.3251 1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 0.0944 0.9422 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8956 -0.5733 2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 0.2280 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.8944 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 -2.1689 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 -3.2052 -0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 -2.2174 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3417 -0.7876 0.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7814 -0.6348 0.5145 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2109 -1.1362 1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -1.5181 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 -0.6971 -1.4898 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1746 0.1970 -2.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.8307 -2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -2.8377 -2.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -1.5633 -1.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 -0.0894 -1.8286 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6630 0.7242 -1.7865 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4150 0.5157 -3.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 0.7008 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3742 -0.5516 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -1.4501 -1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -0.8843 0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 0.2277 1.6112 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4262 -0.4126 2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 1.2293 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 0.9502 -0.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7772 2.3822 1.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.0458 -0.7377 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7491 -0.7485 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 1.4391 -0.4194 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6788 1.7931 0.7961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 1.4396 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 2.5155 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0639 0.7896 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5537 2.0250 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 2.5334 2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6446 0.8580 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 1.5543 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 2.7710 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 2.1457 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 1.0217 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -0.2763 3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -1.6446 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -0.1296 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 -2.7514 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -2.7839 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -0.4575 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -1.9152 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 -1.6280 2.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7138 -0.3092 2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -2.5807 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 -1.2445 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -1.3256 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 0.1973 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.2026 -3.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 1.2430 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 -2.1520 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -1.9010 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 0.2688 -2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.8151 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 1.1401 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 0.9011 -3.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -0.5420 -3.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 1.4690 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 1.0802 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 -1.6867 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 -1.3453 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 0.7129 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8214 -1.0633 3.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -0.9634 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 0.3970 3.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 2.6841 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.6366 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -1.7963 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -0.2946 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 2.2034 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 2.2486 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 1 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 16 18 1 0 11 19 1 0 19 20 1 6 19 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 33 35 1 0 24 36 1 0 36 37 1 1 36 38 1 0 38 39 1 0 38 40 1 0 40 41 2 0 16 5 1 0 36 19 1 0 15 8 1 0 40 10 1 0 1 42 1 0 1 43 1 0 1 44 1 0 5 45 1 6 6 46 1 0 6 47 1 0 7 48 1 0 7 49 1 0 9 50 1 0 9 51 1 0 9 52 1 0 14 53 1 0 14 54 1 0 15 55 1 6 17 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 18 60 1 0 18 61 1 0 20 62 1 0 20 63 1 0 20 64 1 0 23 65 1 0 23 66 1 0 24 67 1 6 25 68 1 6 26 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 30 74 1 0 30 75 1 0 31 76 1 1 32 77 1 0 32 78 1 0 32 79 1 0 35 80 1 0 37 81 1 0 37 82 1 0 37 83 1 0 38 84 1 6 39 85 1 0 M END 3D SDF for NP0014491 (Ganodernoid G)Mrv1652307042107073D 85 88 0 0 0 0 999 V2000 -8.7006 1.6654 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 1.3676 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7092 1.3646 -0.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2917 1.0670 1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 0.7901 0.2326 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0659 1.7098 0.2721 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0805 1.3251 1.3549 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3812 0.0944 0.9422 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8956 -0.5733 2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 0.2280 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.8944 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 -2.1689 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 -3.2052 -0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 -2.2174 0.1590 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3417 -0.7876 0.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7814 -0.6348 0.5145 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2109 -1.1362 1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -1.5181 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 -0.6971 -1.4898 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1746 0.1970 -2.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.8307 -2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -2.8377 -2.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -1.5633 -1.9741 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4921 -0.0894 -1.8286 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6630 0.7242 -1.7865 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4150 0.5157 -3.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 0.7008 -0.7041 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3742 -0.5516 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -1.4501 -1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -0.8843 0.6729 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5460 0.2277 1.6112 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4262 -0.4126 2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 1.2293 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 0.9502 -0.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7772 2.3822 1.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.0458 -0.7377 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7491 -0.7485 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 1.4391 -0.4194 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6788 1.7931 0.7961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 1.4396 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 2.5155 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0639 0.7896 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5537 2.0250 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 2.5334 2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6446 0.8580 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 1.5543 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 2.7710 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 2.1457 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 1.0217 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -0.2763 3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -1.6446 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -0.1296 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 -2.7514 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -2.7839 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -0.4575 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -1.9152 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 -1.6280 2.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7138 -0.3092 2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -2.5807 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 -1.2445 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -1.3256 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 0.1973 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.2026 -3.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 1.2430 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 -2.1520 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -1.9010 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 0.2688 -2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.8151 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 1.1401 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 0.9011 -3.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -0.5420 -3.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 1.4690 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 1.0802 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 -1.6867 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 -1.3453 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 0.7129 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8214 -1.0633 3.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -0.9634 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 0.3970 3.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 2.6841 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.6366 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -1.7963 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -0.2946 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 2.2034 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 2.2486 1.4139 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 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 31 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 24 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 16 5 1 0 0 0 0 36 19 1 0 0 0 0 15 8 1 0 0 0 0 40 10 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 5 45 1 6 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 6 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 67 1 6 0 0 0 25 68 1 6 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 76 1 1 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 35 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 38 84 1 6 0 0 0 39 85 1 0 0 0 0 M END > <DATABASE_ID> NP0014491 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C(=O)C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C(=O)[C@]2(C3=C(C(=O)[C@@]([H])(O[H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3=O)C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-22(36)32(8)24-20(35)14-21-29(4,5)23(41-17(3)33)9-10-30(21,6)25(24)26(37)27(38)31(19,32)7/h15-16,19,21,23,27,38H,9-14H2,1-8H3,(H,39,40)/t15-,16-,19-,21+,23+,27-,30+,31+,32+/m1/s1 > <INCHI_KEY> UCVMOQJIKVEFTE-ILOYXCQESA-N > <FORMULA> C32H44O9 > <MOLECULAR_WEIGHT> 572.695 > <EXACT_MASS> 572.298532997 > <JCHEM_ACCEPTOR_COUNT> 8 > <JCHEM_ATOM_COUNT> 85 > <JCHEM_AVERAGE_POLARIZABILITY> 61.48279316393025 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 2 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R,6R)-6-[(2S,5S,7R,11R,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid > <ALOGPS_LOGP> 3.40 > <JCHEM_LOGP> 3.592876559666665 > <ALOGPS_LOGS> -4.95 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 12.899405408098819 > <JCHEM_PKA_STRONGEST_ACIDIC> 4.161463219560417 > <JCHEM_PKA_STRONGEST_BASIC> -3.7175940074403764 > <JCHEM_POLAR_SURFACE_AREA> 152.11 > <JCHEM_REFRACTIVITY> 148.5967 > <JCHEM_ROTATABLE_BOND_COUNT> 8 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 6.36e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (2R,6R)-6-[(2S,5S,7R,11R,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0014491 (Ganodernoid G)RDKit 3D 85 88 0 0 0 0 0 0 0 0999 V2000 -8.7006 1.6654 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 1.3676 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7092 1.3646 -0.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2917 1.0670 1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 0.7901 0.2326 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0659 1.7098 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0805 1.3251 1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 0.0944 0.9422 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8956 -0.5733 2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 0.2280 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.8944 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 -2.1689 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 -3.2052 -0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 -2.2174 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3417 -0.7876 0.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7814 -0.6348 0.5145 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2109 -1.1362 1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -1.5181 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 -0.6971 -1.4898 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1746 0.1970 -2.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.8307 -2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -2.8377 -2.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -1.5633 -1.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 -0.0894 -1.8286 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6630 0.7242 -1.7865 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4150 0.5157 -3.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 0.7008 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3742 -0.5516 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -1.4501 -1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -0.8843 0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 0.2277 1.6112 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4262 -0.4126 2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 1.2293 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 0.9502 -0.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7772 2.3822 1.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.0458 -0.7377 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7491 -0.7485 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 1.4391 -0.4194 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6788 1.7931 0.7961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 1.4396 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 2.5155 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0639 0.7896 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5537 2.0250 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 2.5334 2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6446 0.8580 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 1.5543 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 2.7710 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 2.1457 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 1.0217 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -0.2763 3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -1.6446 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -0.1296 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 -2.7514 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -2.7839 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -0.4575 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -1.9152 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 -1.6280 2.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7138 -0.3092 2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -2.5807 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 -1.2445 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -1.3256 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 0.1973 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.2026 -3.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 1.2430 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 -2.1520 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -1.9010 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 0.2688 -2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.8151 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 1.1401 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 0.9011 -3.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -0.5420 -3.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 1.4690 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 1.0802 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 -1.6867 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 -1.3453 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 0.7129 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8214 -1.0633 3.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -0.9634 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 0.3970 3.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 2.6841 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.6366 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -1.7963 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -0.2946 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 2.2034 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 2.2486 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 1 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 16 18 1 0 11 19 1 0 19 20 1 6 19 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 33 35 1 0 24 36 1 0 36 37 1 1 36 38 1 0 38 39 1 0 38 40 1 0 40 41 2 0 16 5 1 0 36 19 1 0 15 8 1 0 40 10 1 0 1 42 1 0 1 43 1 0 1 44 1 0 5 45 1 6 6 46 1 0 6 47 1 0 7 48 1 0 7 49 1 0 9 50 1 0 9 51 1 0 9 52 1 0 14 53 1 0 14 54 1 0 15 55 1 6 17 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 18 60 1 0 18 61 1 0 20 62 1 0 20 63 1 0 20 64 1 0 23 65 1 0 23 66 1 0 24 67 1 6 25 68 1 6 26 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 30 74 1 0 30 75 1 0 31 76 1 1 32 77 1 0 32 78 1 0 32 79 1 0 35 80 1 0 37 81 1 0 37 82 1 0 37 83 1 0 38 84 1 6 39 85 1 0 M END PDB for NP0014491 (Ganodernoid G)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -8.701 1.665 1.596 0.00 0.00 C+0 HETATM 2 C UNK 0 -7.579 1.368 0.663 0.00 0.00 C+0 HETATM 3 O UNK 0 -7.709 1.365 -0.579 0.00 0.00 O+0 HETATM 4 O UNK 0 -6.292 1.067 1.076 0.00 0.00 O+0 HETATM 5 C UNK 0 -5.246 0.790 0.233 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.066 1.710 0.272 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.080 1.325 1.355 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.381 0.094 0.942 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.896 -0.573 2.239 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.184 0.228 0.101 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.774 -0.894 -0.530 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.422 -2.169 -0.237 0.00 0.00 C+0 HETATM 13 O UNK 0 -0.738 -3.205 -0.325 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.878 -2.217 0.159 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.342 -0.788 0.186 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.781 -0.635 0.515 0.00 0.00 C+0 HETATM 17 C UNK 0 -5.211 -1.136 1.851 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.516 -1.518 -0.518 0.00 0.00 C+0 HETATM 19 C UNK 0 0.316 -0.697 -1.490 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.175 0.197 -2.627 0.00 0.00 C+0 HETATM 21 C UNK 0 0.978 -1.831 -2.062 0.00 0.00 C+0 HETATM 22 O UNK 0 0.545 -2.838 -2.542 0.00 0.00 O+0 HETATM 23 C UNK 0 2.485 -1.563 -1.974 0.00 0.00 C+0 HETATM 24 C UNK 0 2.492 -0.089 -1.829 0.00 0.00 C+0 HETATM 25 C UNK 0 3.663 0.724 -1.787 0.00 0.00 C+0 HETATM 26 C UNK 0 4.415 0.516 -3.135 0.00 0.00 C+0 HETATM 27 C UNK 0 4.657 0.701 -0.704 0.00 0.00 C+0 HETATM 28 C UNK 0 5.374 -0.552 -0.472 0.00 0.00 C+0 HETATM 29 O UNK 0 5.257 -1.450 -1.323 0.00 0.00 O+0 HETATM 30 C UNK 0 6.234 -0.884 0.673 0.00 0.00 C+0 HETATM 31 C UNK 0 6.546 0.228 1.611 0.00 0.00 C+0 HETATM 32 C UNK 0 7.426 -0.413 2.716 0.00 0.00 C+0 HETATM 33 C UNK 0 7.489 1.229 1.001 0.00 0.00 C+0 HETATM 34 O UNK 0 7.981 0.950 -0.111 0.00 0.00 O+0 HETATM 35 O UNK 0 7.777 2.382 1.656 0.00 0.00 O+0 HETATM 36 C UNK 0 1.442 0.046 -0.738 0.00 0.00 C+0 HETATM 37 C UNK 0 1.749 -0.749 0.489 0.00 0.00 C+0 HETATM 38 C UNK 0 1.048 1.439 -0.419 0.00 0.00 C+0 HETATM 39 O UNK 0 1.679 1.793 0.796 0.00 0.00 O+0 HETATM 40 C UNK 0 -0.427 1.440 -0.101 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.057 2.515 0.002 0.00 0.00 O+0 HETATM 42 H UNK 0 -9.064 0.790 2.140 0.00 0.00 H+0 HETATM 43 H UNK 0 -9.554 2.025 0.949 0.00 0.00 H+0 HETATM 44 H UNK 0 -8.442 2.533 2.229 0.00 0.00 H+0 HETATM 45 H UNK 0 -5.645 0.858 -0.826 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.519 1.554 -0.698 0.00 0.00 H+0 HETATM 47 H UNK 0 -4.321 2.771 0.277 0.00 0.00 H+0 HETATM 48 H UNK 0 -2.500 2.146 1.763 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.741 1.022 2.229 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.567 -0.276 3.098 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.753 -1.645 2.142 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.912 -0.130 2.533 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.378 -2.751 -0.690 0.00 0.00 H+0 HETATM 54 H UNK 0 -3.054 -2.784 1.066 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.252 -0.458 -0.897 0.00 0.00 H+0 HETATM 56 H UNK 0 -6.032 -1.915 1.799 0.00 0.00 H+0 HETATM 57 H UNK 0 -4.422 -1.628 2.442 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.714 -0.309 2.437 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.362 -2.581 -0.246 0.00 0.00 H+0 HETATM 60 H UNK 0 -6.593 -1.244 -0.546 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.114 -1.326 -1.531 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.300 0.197 -2.583 0.00 0.00 H+0 HETATM 63 H UNK 0 0.106 -0.203 -3.617 0.00 0.00 H+0 HETATM 64 H UNK 0 0.131 1.243 -2.484 0.00 0.00 H+0 HETATM 65 H UNK 0 2.755 -2.152 -1.074 0.00 0.00 H+0 HETATM 66 H UNK 0 3.017 -1.901 -2.851 0.00 0.00 H+0 HETATM 67 H UNK 0 1.884 0.269 -2.759 0.00 0.00 H+0 HETATM 68 H UNK 0 3.337 1.815 -1.894 0.00 0.00 H+0 HETATM 69 H UNK 0 5.306 1.140 -3.164 0.00 0.00 H+0 HETATM 70 H UNK 0 3.698 0.901 -3.902 0.00 0.00 H+0 HETATM 71 H UNK 0 4.558 -0.542 -3.349 0.00 0.00 H+0 HETATM 72 H UNK 0 5.475 1.469 -0.934 0.00 0.00 H+0 HETATM 73 H UNK 0 4.284 1.080 0.281 0.00 0.00 H+0 HETATM 74 H UNK 0 5.721 -1.687 1.260 0.00 0.00 H+0 HETATM 75 H UNK 0 7.201 -1.345 0.369 0.00 0.00 H+0 HETATM 76 H UNK 0 5.694 0.713 2.079 0.00 0.00 H+0 HETATM 77 H UNK 0 6.821 -1.063 3.356 0.00 0.00 H+0 HETATM 78 H UNK 0 8.212 -0.963 2.150 0.00 0.00 H+0 HETATM 79 H UNK 0 7.952 0.397 3.257 0.00 0.00 H+0 HETATM 80 H UNK 0 7.216 2.684 2.462 0.00 0.00 H+0 HETATM 81 H UNK 0 2.795 -0.637 0.846 0.00 0.00 H+0 HETATM 82 H UNK 0 1.432 -1.796 0.432 0.00 0.00 H+0 HETATM 83 H UNK 0 1.137 -0.295 1.323 0.00 0.00 H+0 HETATM 84 H UNK 0 1.325 2.203 -1.143 0.00 0.00 H+0 HETATM 85 H UNK 0 1.081 2.249 1.414 0.00 0.00 H+0 CONECT 1 2 42 43 44 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 16 45 CONECT 6 5 7 46 47 CONECT 7 6 8 48 49 CONECT 8 7 9 10 15 CONECT 9 8 50 51 52 CONECT 10 8 11 40 CONECT 11 10 12 19 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 53 54 CONECT 15 14 16 8 55 CONECT 16 15 17 18 5 CONECT 17 16 56 57 58 CONECT 18 16 59 60 61 CONECT 19 11 20 21 36 CONECT 20 19 62 63 64 CONECT 21 19 22 23 CONECT 22 21 CONECT 23 21 24 65 66 CONECT 24 23 25 36 67 CONECT 25 24 26 27 68 CONECT 26 25 69 70 71 CONECT 27 25 28 72 73 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 74 75 CONECT 31 30 32 33 76 CONECT 32 31 77 78 79 CONECT 33 31 34 35 CONECT 34 33 CONECT 35 33 80 CONECT 36 24 37 38 19 CONECT 37 36 81 82 83 CONECT 38 36 39 40 84 CONECT 39 38 85 CONECT 40 38 41 10 CONECT 41 40 CONECT 42 1 CONECT 43 1 CONECT 44 1 CONECT 45 5 CONECT 46 6 CONECT 47 6 CONECT 48 7 CONECT 49 7 CONECT 50 9 CONECT 51 9 CONECT 52 9 CONECT 53 14 CONECT 54 14 CONECT 55 15 CONECT 56 17 CONECT 57 17 CONECT 58 17 CONECT 59 18 CONECT 60 18 CONECT 61 18 CONECT 62 20 CONECT 63 20 CONECT 64 20 CONECT 65 23 CONECT 66 23 CONECT 67 24 CONECT 68 25 CONECT 69 26 CONECT 70 26 CONECT 71 26 CONECT 72 27 CONECT 73 27 CONECT 74 30 CONECT 75 30 CONECT 76 31 CONECT 77 32 CONECT 78 32 CONECT 79 32 CONECT 80 35 CONECT 81 37 CONECT 82 37 CONECT 83 37 CONECT 84 38 CONECT 85 39 MASTER 0 0 0 0 0 0 0 0 85 0 176 0 END SMILES for NP0014491 (Ganodernoid G)[H]OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C(=O)C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C(=O)[C@]2(C3=C(C(=O)[C@@]([H])(O[H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3=O)C([H])([H])[H] INCHI for NP0014491 (Ganodernoid G)InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-22(36)32(8)24-20(35)14-21-29(4,5)23(41-17(3)33)9-10-30(21,6)25(24)26(37)27(38)31(19,32)7/h15-16,19,21,23,27,38H,9-14H2,1-8H3,(H,39,40)/t15-,16-,19-,21+,23+,27-,30+,31+,32+/m1/s1 3D Structure for NP0014491 (Ganodernoid G) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C32H44O9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 572.6950 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 572.29853 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2R,6R)-6-[(2S,5S,7R,11R,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2R,6R)-6-[(2S,5S,7R,11R,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-22(36)32(8)24-20(35)14-21-29(4,5)23(41-17(3)33)9-10-30(21,6)25(24)26(37)27(38)31(19,32)7/h15-16,19,21,23,27,38H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,23+,27-,30+,31+,32+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | UCVMOQJIKVEFTE-ILOYXCQESA-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 | NPA016560 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78441405 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139587706 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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