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CHEBI:214766 - 2-[(1R,3R)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid

ChEBI IDCHEBI:214766
ChEBI Name2-[(1R,3R)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO6
Net Charge0
Average Mass387.432
Monoisotopic Mass387.16819
SMILESCNC1=CC(=O)c2c(cc3c(c2O)[C@@H](CCC(C)C)O[C@@H](CC(=O)O)C3)C1=O
InChIInChI=1S/C21H25NO6/c1-10(2)4-5-16-18-11(6-12(28-16)8-17(24)25)7-13-19(21(18)27)15(23)9-14(22-3)20(13)26/h7,9-10,12,16,22,27H,4-6,8H2,1-3H3,(H,24,25)/t12-,16-/m1/s1
InChIKeyYZPYNXBZDGBRSG-MLGOLLRUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (10348040)
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid (CHEBI:214766) is a quinone (CHEBI:36141)
IUPAC Name 
2-[(1R,3R)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
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