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CHEBI:222292 - (3S,4S)-3,8-dihydroxy-6-methoxy-3,4,5-trimethylisochroman-1-one

ChEBI IDCHEBI:222292
ChEBI Name(3S,4S)-3,8-dihydroxy-6-methoxy-3,4,5-trimethylisochroman-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1cc(O)c2c(c1C)[C@H](C)[C@@](C)(O)OC2=O
InChIInChI=1S/C13H16O5/c1-6-9(17-4)5-8(14)11-10(6)7(2)13(3,16)18-12(11)15/h5,7,14,16H,1-4H3/t7-,13-/m0/s1
InChIKeyXLJAJFLQTGWNES-CPFSXVBKSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (30542160)
ChEBI Ontology
Outgoing Relation(s)
(3S,4S)-3,8-dihydroxy-6-methoxy-3,4,5-trimethylisochroman-1-one (CHEBI:222292) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,4S)-3,8-dihydroxy-6-methoxy-3,4,5-trimethyl-4H-isochromen-1-one