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CHEBI:200439 - Lahorenoic acid A

Default Structure
ChEBI IDCHEBI:200439
ChEBI NameLahorenoic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O3
Net Charge0
Average Mass260.333
Monoisotopic Mass260.14124
SMILESCC(=O)/C=C/c1ccccc1CCCCCC(=O)O
InChIInChI=1S/C16H20O3/c1-13(17)11-12-15-9-6-5-8-14(15)7-3-2-4-10-16(18)19/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,18,19)/b12-11+
InChIKeyLIQKTQMCDRLBJR-VAWYXSNFSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (23402329)
ChEBI Ontology
Outgoing Relation(s)
Lahorenoic acid A (CHEBI:200439) has functional parent cinnamic acid (CHEBI:27386)
Lahorenoic acid A (CHEBI:200439) is a olefinic compound (CHEBI:78840)
IUPAC Name 
6-[2-[(E)-3-oxobut-1-enyl]phenyl]hexanoic acid
Manual XrefsDatabases
28637705ChemSpider