CHEBI:216555 - B-5354b

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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 B-5354b
ChEBI ID CHEBI:216555
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H31NO3
Net Charge 0
Average Mass 345.483
Monoisotopic Mass 345.23039
InChI InChI=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+
InChIKey WLYHWIFEWQXUPV-GEJAPMDVSA-N
SMILES O=C(OC/C=C/CCC/C=C/CCCCCC)C1=CC(O)=C(N)C=C1
Metabolite of Species Details
Ruegeria (NCBI:txid97050) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
8038707 ChemSpider
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