4-O-Methylbotcinolide (CHEBI:222131)

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CHEBI:222131 - 4-O-Methylbotcinolide

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ChEBI ID	CHEBI:222131
ChEBI Name	4-O-Methylbotcinolide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H36O8
Net Charge	0
Average Mass	416.511
Monoisotopic Mass	416.24102
SMILES	CCCCC(O)/C=C/C(=O)OC1C(C)OC(=O)C(C)C(O)C(C)(OC)C(O)C1C
InChI	InChI=1S/C21H36O8/c1-7-8-9-15(22)10-11-16(23)29-17-12(2)18(24)21(5,27-6)19(25)13(3)20(26)28-14(17)4/h10-15,17-19,22,24-25H,7-9H2,1-6H3/b11-10+
InChIKey	GJLPOSLGYAWPGK-ZHACJKMWSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	4-O-Methylbotcinolide (CHEBI:222131) is a fatty acid ester (CHEBI:35748)

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

Manual Xrefs	Databases
78444593	ChemSpider