CHEBI:222111 - Botrytisic acid B

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ChEBI Name Botrytisic acid B
ChEBI ID CHEBI:222111
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18O4
Net Charge 0
Average Mass 262.305
Monoisotopic Mass 262.12051
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
SMILES O=C1C=C[C@@](/C=C/C(=C\C(=O)O)/C)(C)C(C1(C)C)=O
Metabolite of Species Details
Botrytis (NCBI:txid33196) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
78435037 ChemSpider
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