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Ganolucidic acid A

PropertiesImage
MNX_IDMNXM125937 Image of MNXM125937
referencechebi:168397
formulaC30H44O6
global charge0
mol weight500.676
InChIKeyXRXBNTYHQXKSAO-WRRQQOFWSA-N
InChIInChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17-,20-,22+,24+,28+,29-,30-/m1/s1
SMILESC[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O
MNX internals
InChI (mnx)InChI=1/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17-,20-,22+,24+,28+,29-,30-/m1/s1 Image of MNXM125937
SMILES (mnx)[CH3:1][C@H:16]([CH2:12][C:18]([CH2:13][C@@H:17]([CH3:2])[C:26](=[O:35])[OH:36])=[O:31])[C@H:20]1[CH2:14][C@H:24]([OH:34])[C@@:30]2([CH3:7])[C:19]3=[C:25]([C:21](=[O:32])[CH2:15][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:11][CH2:10][C:23](=[O:33])[C:27]([CH3:3])([CH3:4])[C@@H:22]1[CH2:9][CH2:8]3
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
IdentifierDescription

CHEBI:168397
chebi:168397
XRXBNTYHQXKSAO-WRRQQOFWSA-N 		Ganolucidic acid A
(2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
(6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

seed.compound:cpd34312
seedM:cpd34312
XRXBNTYHQXKSAO-SXTFGQQDSA-M 		(15alpha)-15-hydroxy-3,11,23-trioxolanost-8-en-26-oate
ganolucidate A
ganolucidic acid A
hmdb:HMDB0035302
XRXBNTYHQXKSAO-UHFFFAOYSA-N 		Ganolucidic acid A
15-Hydroxy-3,11,23-trioxolanost-8-en-26-Oic acid
6-{12-hydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoate
6-{12-hydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoic acid
Ganolucidate a

metacyc.compound:CPD-17999
metacycM:CPD-17999
XRXBNTYHQXKSAO-SXTFGQQDSA-M 		ganolucidate A
(15alpha)-15-hydroxy-3,11,23-trioxolanost-8-en-26-oate
ganolucidic acid A

hmdb:HMDB35302
seedM:M_cpd34312 		secondary/obsolete/fantasy identifier