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CHEBI:208120 - (3S)-5-hydroxy-8-O-methylmellein

ChEBI IDCHEBI:208120
ChEBI Name(3S)-5-hydroxy-8-O-methylmellein
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FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCOc1ccc(O)c2c1C(=O)O[C@@H](C)C2
InChIInChI=1S/C11H12O4/c1-6-5-7-8(12)3-4-9(14-2)10(7)11(13)15-6/h3-4,6,12H,5H2,1-2H3/t6-/m0/s1
InChIKeyDMSBNEKOIJIDSK-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Biscogniauxia (ncbitaxon:97376) - DOI (10.1007/s10600-011-9988-z)
ChEBI Ontology
Outgoing Relation(s)
(3S)-5-hydroxy-8-O-methylmellein (CHEBI:208120) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S)-5-hydroxy-8-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
28289166ChemSpider