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CHEBI:227177 - Lahorenoic acid B

ChEBI IDCHEBI:227177
ChEBI NameLahorenoic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O3
Net Charge0
Average Mass274.360
Monoisotopic Mass274.15689
SMILESCOC(=O)CCCCCc1ccccc1/C=C/C(C)=O
InChIInChI=1S/C17H22O3/c1-14(18)12-13-16-10-7-6-9-15(16)8-4-3-5-11-17(19)20-2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3/b13-12+
InChIKeyBYTVKDVESHEQOK-OUKQBFOZSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (23402329)
ChEBI Ontology
Outgoing Relation(s)
Lahorenoic acid B (CHEBI:227177) has functional parent cinnamic acid (CHEBI:27386)
Lahorenoic acid B (CHEBI:227177) is a olefinic compound (CHEBI:78840)
IUPAC Name 
methyl 6-[2-[(E)-3-oxobut-1-enyl]phenyl]hexanoate
Manual XrefsDatabases
29417817ChemSpider