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CHEBI:226878 - JS-3

ChEBI IDCHEBI:226878
ChEBI NameJS-3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O4
Net Charge0
Average Mass276.292
Monoisotopic Mass276.11101
SMILESO=C1N[C@@H](Cc2ccc(O)c(O)c2)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C14H16N2O4/c17-11-4-3-8(7-12(11)18)6-9-14(20)16-5-1-2-10(16)13(19)15-9/h3-4,7,9-10,17-18H,1-2,5-6H2,(H,15,19)/t9-,10-/m0/s1
InChIKeyQSFBICASXGBTSB-UWVGGRQHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 8812 (ncbitaxon:1745219) - PubMed (29700424)
ChEBI Ontology
Outgoing Relation(s)
JS-3 (CHEBI:226878) has functional parent α-amino acid (CHEBI:33704)
JS-3 (CHEBI:226878) is a organonitrogen compound (CHEBI:35352)
JS-3 (CHEBI:226878) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,8aS)-3-[(3,4-dihydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
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78438851ChemSpider