Ganoderic acid GS-1 (CHEBI:205212)

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CHEBI:205212 - Ganoderic acid GS-1

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ChEBI ID	CHEBI:205212
ChEBI Name	Ganoderic acid GS-1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H42O6
Net Charge	0
Average Mass	498.660
Monoisotopic Mass	498.29814
SMILES	C/C(=C\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O
InChI	InChI=1S/C30H42O6/c1-16(9-8-10-17(2)26(35)36)18-13-23(34)30(7)25-19(31)14-21-27(3,4)22(33)11-12-28(21,5)24(25)20(32)15-29(18,30)6/h10,16,18-19,21,31H,8-9,11-15H2,1-7H3,(H,35,36)/b17-10+/t16-,18-,19+,21+,28+,29-,30+/m1/s1
InChIKey	AMQGNLQZSMPDGV-DUUWRNHESA-N

Species of Metabolite	Component	Source	Comments
Ganoderma sinense (ncbitaxon:36075)	-	PubMed (19801861)

ChEBI Ontology

Outgoing Relation(s)
	Ganoderic acid GS-1 (CHEBI:205212) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
78437249	ChemSpider