Botryenalol (CHEBI:204634)

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CHEBI:204634 - Botryenalol

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ChEBI ID	CHEBI:204634
ChEBI Name	Botryenalol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H26O4
Net Charge	0
Average Mass	294.391
Monoisotopic Mass	294.18311
SMILES	CC(=O)O[C@H]1C[C@@H](C)C(C=O)=C2[C@@H]1C(C)(C)C[C@]2(C)CO
InChI	InChI=1S/C17H26O4/c1-10-6-13(21-11(2)20)15-14(12(10)7-18)17(5,9-19)8-16(15,3)4/h7,10,13,15,19H,6,8-9H2,1-5H3/t10-,13+,15-,17-/m1/s1
InChIKey	DSVSTMJOGQEZJX-BYLNDYCFSA-N

Species of Metabolite	Component	Source	Comments
Botrytis cinerea (ncbitaxon:40559)	-	DOI (10.1016/0031-9422(95)00643-5)

ChEBI Ontology

Outgoing Relation(s)
	Botryenalol (CHEBI:204634) is a carboxylic ester (CHEBI:33308)

IUPAC Name
[(1S,3aS,4S,6R)-7-ormyl-1-(hydroxymethyl)-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-inden-4-yl] acetate

Manual Xrefs	Databases
24699160	ChemSpider