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CHEBI:203396 - 2-[(1R,3R)-1-butyl-10-hydroxy-7-(methylamino)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid

ChEBI IDCHEBI:203396
ChEBI Name2-[(1R,3R)-1-butyl-10-hydroxy-7-(methylamino)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23NO6
Net Charge0
Average Mass373.405
Monoisotopic Mass373.15254
SMILESCCCC[C@H]1O[C@@H](CC(=O)O)Cc2cc3c(c(O)c21)C(=O)C=C(NC)C3=O
InChIInChI=1S/C20H23NO6/c1-3-4-5-15-17-10(6-11(27-15)8-16(23)24)7-12-18(20(17)26)14(22)9-13(21-2)19(12)25/h7,9,11,15,21,26H,3-6,8H2,1-2H3,(H,23,24)/t11-,15-/m1/s1
InChIKeyUVKXAYFDXPIGGT-IAQYHMDHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (10348040)
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R)-1-butyl-10-hydroxy-7-(methylamino)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid (CHEBI:203396) is a quinone (CHEBI:36141)
IUPAC Name 
2-[(1R,3R)-1-butyl-10-hydroxy-7-(methylamino)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
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8220422ChemSpider