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CHEBI:226939 - Shewanelline A

ChEBI IDCHEBI:226939
ChEBI NameShewanelline A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14N2O2
Net Charge0
Average Mass278.311
Monoisotopic Mass278.10553
SMILESCO[C@]1(c2cnc3ccccc23)C(=O)Nc2ccccc21
InChIInChI=1S/C17H14N2O2/c1-21-17(12-7-3-5-9-15(12)19-16(17)20)13-10-18-14-8-4-2-6-11(13)14/h2-10,18H,1H3,(H,19,20)/t17-/m1/s1
InChIKeyFQODSUYCYUUQBF-QGZVFWFLSA-N
Species of MetaboliteComponentSourceComments
Shewanella piezotolerans (ncbitaxon:404011) - PubMed (24496143)
ChEBI Ontology
Outgoing Relation(s)
Shewanelline A (CHEBI:226939) is a indoles (CHEBI:24828)
IUPAC Name 
(3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one
Manual XrefsDatabases
32674660ChemSpider