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CHEBI:230048 - LEVULINIC ACID, 3-BENZYLIDENYL-

ChEBI IDCHEBI:230048
ChEBI NameLEVULINIC ACID, 3-BENZYLIDENYL-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O3
Net Charge0
Average Mass204.225
Monoisotopic Mass204.07864
SMILESCC(=O)/C(=C\c1ccccc1)CC(=O)O
InChIInChI=1S/C12H12O3/c1-9(13)11(8-12(14)15)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)/b11-7-
InChIKeyBNQYXFAVUMPZFG-XFFZJAGNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LEVULINIC ACID, 3-BENZYLIDENYL- (CHEBI:230048) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
(3Z)-3-benzylidene-4-oxopentanoic acid
Manual XrefsDatabases
LSM-43904LINCS
4760879ChemSpider