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CHEBI:199462 - Fisheacid

ChEBI IDCHEBI:199462
ChEBI NameFisheacid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O4
Net Charge0
Average Mass346.382
Monoisotopic Mass346.12051
SMILESO=C(O)C1Cc2ccccc2C=C1C1=Cc2ccccc2CC1C(=O)O
InChIInChI=1S/C22H18O4/c23-21(24)19-11-15-7-3-1-5-13(15)9-17(19)18-10-14-6-2-4-8-16(14)12-20(18)22(25)26/h1-10,19-20H,11-12H2,(H,23,24)(H,25,26)
InChIKeyBXDCWQGAILMPMH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri (ncbitaxon:36630) - PubMed (21916772)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Fisheacid (CHEBI:199462) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
3-(3-carboxy-3,4-dihydronaphthalen-2-yl)-1,2-dihydronaphthalene-2-carboxylic acid
Manual XrefsDatabases
78434635ChemSpider