Ganoderic acid E (CHEBI:217525)

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CHEBI:217525 - Ganoderic acid E

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ChEBI ID	CHEBI:217525
ChEBI Name	Ganoderic acid E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H40O7
Net Charge	0
Average Mass	512.643
Monoisotopic Mass	512.27740
SMILES	CC(CC(=O)CC(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]1CC3=O)C(=O)O
InChI	InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21H,8-14H2,1-7H3,(H,36,37)/t15?,16?,18-,21+,28+,29-,30+/m1/s1
InChIKey	VBGDQDJVTLQGNO-USLMHDLPSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma lucidum (ncbitaxon:5315)	-	DOI (10.1248/cpb.33.2624)

ChEBI Ontology

Outgoing Relation(s)
	Ganoderic acid E (CHEBI:217525) is a triterpenoid (CHEBI:36615)

IUPAC Name
2-methyl-4-oxo-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid

Manual Xrefs	Databases
8250676	ChemSpider