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Ganolucidic acid A

Properties

Image

Occurences in reactions

MNX_ID

MNXM125937

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

formula

C₃₀H₄₄O₆

charge

mass

500.31379

reference

chebi:168397

InChIKey

XRXBNTYHQXKSAO-WRRQQOFWSA-N

InChI

InChI=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

SMILES

C[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168397 chebi:168397	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
seed.compound:cpd34312 seedM:cpd34312	(15alpha)-15-hydroxy-3,11,23-trioxolanost-8-en-26-oate ganolucidate A ganolucidic acid A
hmdb:HMDB0035302	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	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