3-O-Acetyl-5-O-methylbotcinolide (CHEBI:212887)

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CHEBI:212887 - 3-O-Acetyl-5-O-methylbotcinolide

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ChEBI ID	CHEBI:212887
ChEBI Name	3-O-Acetyl-5-O-methylbotcinolide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H38O9
Net Charge	0
Average Mass	458.548
Monoisotopic Mass	458.25158
SMILES	CCCCC(O)/C=C/C(=O)OC1C(C)OC(=O)C(C)C(OC(C)=O)C(C)(O)C(OC)C1C
InChI	InChI=1S/C23H38O9/c1-8-9-10-17(25)11-12-18(26)32-19-13(2)20(29-7)23(6,28)21(31-16(5)24)14(3)22(27)30-15(19)4/h11-15,17,19-21,25,28H,8-10H2,1-7H3/b12-11+
InChIKey	AOCQSDGADDMNAL-VAWYXSNFSA-N

Species of Metabolite	Component	Source	Comments
Botrytis cinerea (ncbitaxon:40559)	-	DOI (10.1016/0031-9422(96)00164-1)

ChEBI Ontology

Outgoing Relation(s)
	3-O-Acetyl-5-O-methylbotcinolide (CHEBI:212887) is a carbonyl compound (CHEBI:36586)

IUPAC Name
(7-acetyloxy-6-hydroxy-5-methoxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl) (E)-4-hydroxyoct-2-enoate

Manual Xrefs	Databases
78444585	ChemSpider