Botrytisic acid A (CHEBI:223173)

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CHEBI:223173 - Botrytisic acid A

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ChEBI ID	CHEBI:223173
ChEBI Name	Botrytisic acid A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C15H20O3
Net Charge	0
Average Mass	248.322
Monoisotopic Mass	248.14124
SMILES	CC(=C/C(=O)O)/C=C/[C@@]1(C)C=CCC(C)(C)C1=O
InChI	InChI=1S/C15H20O3/c1-11(10-12(16)17)6-9-15(4)8-5-7-14(2,3)13(15)18/h5-6,8-10H,7H2,1-4H3,(H,16,17)/b9-6+,11-10-/t15-/m1/s1
InChIKey	YMEFRSQFXGVNCO-YKYZAGTJSA-N

Species of Metabolite	Component	Source	Comments
Botrytis (ncbitaxon:33196)	-	PubMed (19003608)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Botrytisic acid A (CHEBI:223173) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2Z,4E)-3-methyl-5-(1,5,5-trimethyl-6-oxocyclohex-2-en-1-yl)penta-2,4-dienoic acid

Manual Xrefs	Databases
78435043	ChemSpider