Poricoic acid GM (CHEBI:206461)

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CHEBI:206461 - Poricoic acid GM

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ChEBI ID	CHEBI:206461
ChEBI Name	Poricoic acid GM
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H48O5
Net Charge	0
Average Mass	500.720
Monoisotopic Mass	500.35017
SMILES	C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H](C(CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC
InChI	InChI=1S/C31H48O5/c1-19(2)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,21-22,25,27,32H,3,9,11-18H2,1-2,4-8H3,(H,34,35)/t21?,22-,25+,27-,29-,30+,31-/m0/s1
InChIKey	UGVHLNKATMYQSO-KGXQETAESA-N

Species of Metabolite	Component	Source	Comments
Wolfiporia cocos (ncbitaxon:81056)	-	PubMed (19746919)

ChEBI Ontology

Outgoing Relation(s)
	Poricoic acid GM (CHEBI:206461) is a triterpenoid (CHEBI:36615)

IUPAC Name
2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid

Manual Xrefs	Databases
78437315	ChemSpider