Botrytisic acid B (CHEBI:222111)

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CHEBI:222111 - Botrytisic acid B

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ChEBI ID	CHEBI:222111
ChEBI Name	Botrytisic acid B
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Submitter	MetaboLights
Downloads	Molfile

Formula	C15H18O4
Net Charge	0
Average Mass	262.305
Monoisotopic Mass	262.12051
SMILES	CC(=C/C(=O)O)/C=C/[C@@]1(C)C=CC(=O)C(C)(C)C1=O
InChI	InChI=1S/C15H18O4/c1-10(9-12(17)18)5-7-15(4)8-6-11(16)14(2,3)13(15)19/h5-9H,1-4H3,(H,17,18)/b7-5+,10-9-/t15-/m0/s1
InChIKey	ADCHZDGXZCLAQL-AWNMEBKCSA-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 B (CHEBI:222111) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
78435037	ChemSpider