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CHEBI:200206 - 5-methylmellein

ChEBI IDCHEBI:200206
ChEBI Name5-methylmellein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O3
Net Charge0
Average Mass192.214
Monoisotopic Mass192.07864
SMILESCc1ccc(O)c2c1C[C@H](C)OC2=O
InChIInChI=1S/C11H12O3/c1-6-3-4-9(12)10-8(6)5-7(2)14-11(10)13/h3-4,7,12H,5H2,1-2H3/t7-/m0/s1
InChIKeyYETSBBYQOFXYGV-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Fusicoccum (ncbitaxon:83176) - DOI (10.1016/s0040-4039(01)99954-x)
ChEBI Ontology
Outgoing Relation(s)
5-methylmellein (CHEBI:200206) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
8-hydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
8505664ChemSpider