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CHEBI:189520 - (3r,4s)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1h-isochromen-1-one

ChEBI IDCHEBI:189520
ChEBI Name(3r,4s)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1h-isochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O6
Net Charge0
Average Mass240.211
Monoisotopic Mass240.06339
SMILESCOc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H]2O
InChIInChI=1S/C11H12O6/c1-4-8(13)5-3-6(12)10(16-2)9(14)7(5)11(15)17-4/h3-4,8,12-14H,1-2H3/t4-,8-/m1/s1
InChIKeyZLLQQKITWRWKTD-SPGJFGJESA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3r,4s)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1h-isochromen-1-one (CHEBI:189520) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R,4S)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
29814443ChemSpider