Ganohainanic acid A (CHEBI:205014)

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CHEBI:205014 - Ganohainanic acid A

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ChEBI ID	CHEBI:205014
ChEBI Name	Ganohainanic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H42O8
Net Charge	0
Average Mass	530.658
Monoisotopic Mass	530.28797
SMILES	C[C@H](CC(=O)C[C@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1CC3=O
InChI	InChI=1S/C30H42O8/c1-15(9-17(32)10-16(2)26(37)38)18-11-23(36)30(6)25-19(33)12-21-27(3,8-7-22(35)28(21,4)14-31)24(25)20(34)13-29(18,30)5/h15-16,18,21,23,31,36H,7-14H2,1-6H3,(H,37,38)/t15-,16+,18-,21-,23-,27+,28+,29-,30+/m1/s1
InChIKey	IONXFEJSBGBYFB-MFUTUDLPSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Ganohainanic acid A (CHEBI:205014) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
78442027	ChemSpider