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CHEBI:222621 - 5,7-dihydroxy-O-methylmellein

ChEBI IDCHEBI:222621
ChEBI Name5,7-dihydroxy-O-methylmellein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCOc1c(O)cc(O)c2c1C(=O)O[C@H](C)C2
InChIInChI=1S/C11H12O5/c1-5-3-6-7(12)4-8(13)10(15-2)9(6)11(14)16-5/h4-5,12-13H,3H2,1-2H3/t5-/m1/s1
InChIKeyQRBHHBZDQMUFJV-RXMQYKEDSA-N
Species of MetaboliteComponentSourceComments
Astrocystis (ncbitaxon:190942) - DOI (10.1016/j.tet.2014.02.004)
ChEBI Ontology
Outgoing Relation(s)
5,7-dihydroxy-O-methylmellein (CHEBI:222621) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-5,7-dihydroxy-8-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78437705ChemSpider