Ganodecalone A (CHEBI:215163)

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CHEBI:215163 - Ganodecalone A

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ChEBI ID	CHEBI:215163
ChEBI Name	Ganodecalone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H46O3
Net Charge	0
Average Mass	454.695
Monoisotopic Mass	454.34470
SMILES	C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)CO
InChI	InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28+,29+,30-/m1/s1
InChIKey	BELBTILZAXDXSJ-XKPQIJIDSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma calidophilum (ncbitaxon:2026244)	-	PubMed (28800421)

ChEBI Ontology

Outgoing Relation(s)
	Ganodecalone A (CHEBI:215163) is a triterpenoid (CHEBI:36615)

IUPAC Name
(5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Manual Xrefs	Databases
78442370	ChemSpider