Butyl ganoderate A (CHEBI:202707)

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CHEBI:202707 - Butyl ganoderate A

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ChEBI ID	CHEBI:202707
ChEBI Name	Butyl ganoderate A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H52O7
Net Charge	0
Average Mass	572.783
Monoisotopic Mass	572.37130
SMILES	CCCCOC(=O)[C@H](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)[C@@H]1C[C@@H]3O
InChI	InChI=1S/C34H52O7/c1-9-10-13-41-30(40)20(3)15-21(35)14-19(2)22-16-27(39)34(8)29-23(36)17-25-31(4,5)26(38)11-12-32(25,6)28(29)24(37)18-33(22,34)7/h19-20,22-23,25,27,36,39H,9-18H2,1-8H3/t19-,20-,22-,23+,25+,27+,32+,33-,34+/m1/s1
InChIKey	WQMDPDQGTLRSTR-NSIFHFCWSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma lucidum (ncbitaxon:5315)	-	PubMed (20039640)

ChEBI Ontology

Outgoing Relation(s)
	Butyl ganoderate A (CHEBI:202707) is a triterpenoid (CHEBI:36615)

IUPAC Name
butyl (2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

Manual Xrefs	Databases
25054561	ChemSpider