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CHEBI:216555 - B-5354b

ChEBI IDCHEBI:216555
ChEBI NameB-5354b
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31NO3
Net Charge0
Average Mass345.483
Monoisotopic Mass345.23039
SMILESCCCCCC/C=C/CCC/C=C/COC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C21H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25-21(24)18-14-15-19(22)20(23)17-18/h7-8,12-15,17,23H,2-6,9-11,16,22H2,1H3/b8-7+,13-12+
InChIKeyWLYHWIFEWQXUPV-GEJAPMDVSA-N
Species of MetaboliteComponentSourceComments
Ruegeria (ncbitaxon:97050) - PubMed (11079796)
ChEBI Ontology
Outgoing Relation(s)
B-5354b (CHEBI:216555) is a benzoate ester (CHEBI:36054)
B-5354b (CHEBI:216555) is a phenols (CHEBI:33853)
IUPAC Name 
[(2E,7E)-tetradeca-2,7-dienyl] 4-amino-3-hydroxybenzoate
Manual XrefsDatabases
8038707ChemSpider