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CHEBI:212926 - Obscurolide-C2 methyl ester

Default Structure
ChEBI IDCHEBI:212926
ChEBI NameObscurolide-C2 methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO5
Net Charge0
Average Mass307.346
Monoisotopic Mass307.14197
SMILESCOC(=O)CC(Nc1ccc(C=O)cc1)C(O)/C=C/C(C)O
InChIInChI=1S/C16H21NO5/c1-11(19)3-8-15(20)14(9-16(21)22-2)17-13-6-4-12(10-18)5-7-13/h3-8,10-11,14-15,17,19-20H,9H2,1-2H3/b8-3+
InChIKeyLANWWIQLMZOPKM-FPYGCLRLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1325435)
ChEBI Ontology
Outgoing Relation(s)
Obscurolide-C2 methyl ester (CHEBI:212926) has functional parent β-amino acid (CHEBI:33706)
Obscurolide-C2 methyl ester (CHEBI:212926) is a organonitrogen compound (CHEBI:35352)
Obscurolide-C2 methyl ester (CHEBI:212926) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl (E)-3-(4-ormylanilino)-4,7-dihydroxyoct-5-enoate
Manual XrefsDatabases
78443649ChemSpider