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CHEBI:207778 - Herbarin A

ChEBI IDCHEBI:207778
ChEBI NameHerbarin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESCOc1cc(=O)oc(/C=C/C=C/C(=O)O)c1C
InChIInChI=1S/C12H12O5/c1-8-9(5-3-4-6-11(13)14)17-12(15)7-10(8)16-2/h3-7H,1-2H3,(H,13,14)/b5-3+,6-4+
InChIKeyISQQPILYSRJHBC-GGWOSOGESA-N
Species of MetaboliteComponentSourceComments
Cladosporium herbarum (ncbitaxon:29918) - DOI (10.1021/np010390i)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Herbarin A (CHEBI:207778) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E)-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid
Manual XrefsDatabases
9217883ChemSpider