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CHEBI:209105 - Saccharomonosporine A

ChEBI IDCHEBI:209105
ChEBI NameSaccharomonosporine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H15BrN2O2
Net Charge0
Average Mass383.245
Monoisotopic Mass382.03169
SMILESCOc1ccc(/C=C/C(=N)/C=C2/C(=O)Nc3cc(Br)ccc32)cc1
InChIInChI=1S/C19H15BrN2O2/c1-24-15-7-3-12(4-8-15)2-6-14(21)11-17-16-9-5-13(20)10-18(16)22-19(17)23/h2-11,21H,1H3,(H,22,23)/b6-2+,17-11+,21-14?
InChIKeyBJBDVWJMRSHUFX-CJGXPUDKSA-N
Species of MetaboliteComponentSourceComments
Saccharomonospora (ncbitaxon:1851) - PubMed (30525020)
ChEBI Ontology
Outgoing Relation(s)
Saccharomonosporine A (CHEBI:209105) is a indoles (CHEBI:24828)
IUPAC Name 
(3E)-6-bromo-3-[(E)-2-imino-4-(4-methoxyphenyl)but-3-enylidene]-1H-indol-2-one
Manual XrefsDatabases
71048716ChemSpider