Ganohainanic acid E (CHEBI:202371)

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CHEBI:202371 - Ganohainanic acid E

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ChEBI ID	CHEBI:202371
ChEBI Name	Ganohainanic acid E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H40O7
Net Charge	0
Average Mass	500.632
Monoisotopic Mass	500.27740
SMILES	CC(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@@H](C)[C@@H]1CC3=O)C(=O)O
InChI	InChI=1S/C29H40O7/c1-14(9-17(30)10-15(2)26(35)36)18-12-23(34)29(6)25-21(32)11-19-16(3)20(31)7-8-27(19,4)24(25)22(33)13-28(18,29)5/h14-16,18-19,23,34H,7-13H2,1-6H3,(H,35,36)/t14-,15?,16+,18-,19+,23-,27+,28-,29+/m1/s1
InChIKey	QGVZQZMAEWLWAZ-AHHVZPFWSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma (ncbitaxon:5314)	-	PubMed (25457485)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Ganohainanic acid E (CHEBI:202371) is a bile acid (CHEBI:3098)

IUPAC Name
(6R)-6-[(4S,5S,10S,13R,14R,15R,17R)-15-hydroxy-4,10,13,14-tetramethyl-3,7,11-trioxo-2,4,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

Manual Xrefs	Databases
78442000	ChemSpider