CHEBI:227177 - Lahorenoic acid B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lahorenoic acid B
ChEBI ID CHEBI:227177
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H22O3
Net Charge 0
Average Mass 274.360
Monoisotopic Mass 274.15689
InChI InChI=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+
InChIKey BYTVKDVESHEQOK-OUKQBFOZSA-N
SMILES O=C(OC)CCCCCC1=C(C=CC=C1)/C=C/C(=O)C
Metabolite of Species Details
Pseudomonas (NCBI:txid286) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
29417817 ChemSpider
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