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CHEBI:220093 - 3,5-dimethyl-8-methoxy-3,4-dihydroisocoumarin

Default Structure
ChEBI IDCHEBI:220093
ChEBI Name3,5-dimethyl-8-methoxy-3,4-dihydroisocoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O3
Net Charge0
Average Mass206.241
Monoisotopic Mass206.09429
SMILESCOc1ccc(C)c2c1C(=O)O[C@@H](C)C2
InChIInChI=1S/C12H14O3/c1-7-4-5-10(14-3)11-9(7)6-8(2)15-12(11)13/h4-5,8H,6H2,1-3H3/t8-/m0/s1
InChIKeyPUHAIJJCXSKQQD-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Cytospora eucalypticola (ncbitaxon:117546) - DOI (10.1016/s0031-9422(02)00606-4)
ChEBI Ontology
Outgoing Relation(s)
3,5-dimethyl-8-methoxy-3,4-dihydroisocoumarin (CHEBI:220093) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
8-methoxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
494682ChemSpider