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CHEBI:198857 - JS-1

Default Structure
ChEBI IDCHEBI:198857
ChEBI NameJS-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H9NO4
Net Charge0
Average Mass207.185
Monoisotopic Mass207.05316
SMILESO=C(O)[C@@H]1Cc2cc(O)c(O)cc2C=N1
InChIInChI=1S/C10H9NO4/c12-8-2-5-1-7(10(14)15)11-4-6(5)3-9(8)13/h2-4,7,12-13H,1H2,(H,14,15)/t7-/m0/s1
InChIKeyUHZXHQGXRJYUNM-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 8812 (ncbitaxon:1745219) - PubMed (19713994)
ChEBI Ontology
Outgoing Relation(s)
JS-1 (CHEBI:198857) is a isoquinolines (CHEBI:24922)
IUPAC Name 
6,7-dihydroxy-3,4-dihydroisoquinoline-3-carboxylic acid
Manual XrefsDatabases
78435329ChemSpider