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Fasciculol G

Properties Image MNX_ID MNXM1381962 reference chebi:199601 formula C39H65NO10 global charge 0 mol weight 707.946 InChIKey GVPJLBFYVFKWHU-AZRAYVRDSA-N InChI InChI=1S/C39H65NO10/c1-22(11-14-28(42)35(4,5)47)23-15-16-38(8)24-12-13-27-34(2,3)33(26(41)18-37(27,7)25(24)17-29(43)39(23,38)9)50-31(45)20-36(6,48)19-30(44)40-21-32(46)49-10/h22-23,26-29,33,41-43,47-48H,11-21H2,1-10H3,(H,40,44)/t22-,23-,26-,27?,28-,29+,33+,36?,37-,38+,39+/m1/s1 SMILES COC(=O)CNC(=O)CC(C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)[C@@H](O)C3 MNX internals InChI (mnx) InChI=1/C39H65NO10/c1-22(11-14-28(42)35(4,5)47)23-15-16-38(8)24-12-13-27-34(2,3)33(26(41)18-37(27,7)25(24)17-29(43)39(23,38)9)50-31(45)20-36(6,48)19-30(44)40-21-32(46)49-10/h22-23,26-29,33,41-43,47-48H,11-21H2,1-10H3,(H,40,44)/t22-,23-,26-,27?,28-,29+,33+,36?,37-,38+,39+/m1/s1 SMILES (mnx) [CH2:1]=[C:2]([CH2:3][CH3:5])[CH2:4][CH2:6][C:7](=[CH2:8])[CH2:9][C:10]([CH3:11])([CH2:12][C:14](=[CH2:15])[CH2:16][C@@H:17]1[C:18]([CH3:21])([CH3:22])[CH:20]2[C@:25]([CH3:28])([CH2:24][C@@H:19]1[CH3:23])[C:27]1=[C:30]([CH2:29][CH2:26]2)[C@:32]2([CH3:36])[C@:34]([CH3:39])([C@@H:33]([CH3:37])[CH2:31]1)[C@@H:38]([O:41]([O:42][O:44][O:45]([OH:46])[O:47]([OH:48])([OH:49])[OH:50])[OH:43])[NH:40][CH2:35]2)[CH3:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:199601 chebi:199601 GVPJLBFYVFKWHU-AZRAYVRDSA-N	Fasciculol G [(2R,3R,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate