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CHEBI:216508 - 3S,4R-3,8-dimethoxy-3-methylisochromane-4,6-diol

ChEBI IDCHEBI:216508
ChEBI Name3S,4R-3,8-dimethoxy-3-methylisochromane-4,6-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCOc1cc(O)cc2c1CO[C@](C)(OC)[C@@H]2O
InChIInChI=1S/C12H16O5/c1-12(16-3)11(14)8-4-7(13)5-10(15-2)9(8)6-17-12/h4-5,11,13-14H,6H2,1-3H3/t11-,12+/m1/s1
InChIKeyDVWCYZHVDRYKEG-NEPJUHHUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (30011828)
ChEBI Ontology
Outgoing Relation(s)
3S,4R-3,8-dimethoxy-3-methylisochromane-4,6-diol (CHEBI:216508) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,4R)-3,8-dimethoxy-3-methyl-1,4-dihydroisochromene-4,6-diol