methyl ganoderate J (CHEBI:219472)

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CHEBI:219472 - methyl ganoderate J

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ChEBI ID	CHEBI:219472
ChEBI Name	methyl ganoderate J
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H44O7
Net Charge	0
Average Mass	528.686
Monoisotopic Mass	528.30870
SMILES	COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
InChI	InChI=1S/C31H44O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19,22,24,36H,9-15H2,1-8H3/t16-,17?,19-,22?,24+,29+,30-,31+/m1/s1
InChIKey	CLSQDKKKSJPJCC-PGTDVAKFSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma lucidum (ncbitaxon:5315)	-	DOI (10.1080/00021369.1985.10867324)

ChEBI Ontology

Outgoing Relation(s)
	methyl ganoderate J (CHEBI:219472) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
78438184	ChemSpider