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CHEBI:16252 - 6-methoxymellein

ChEBI IDCHEBI:16252
ChEBI Name6-methoxymellein
Stars
DefinitionAn isochromane that is mellein bearing a methoxy substituent at position 6.
Secondary ChEBI IDsCHEBI:12223, CHEBI:20740
Last Modified13 November 2017
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCOc1cc(O)c2c(c1)CC(C)OC2=O
InChIInChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3
InChIKeyAIFNAMVERSBWPS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-methoxymellein (CHEBI:16252) has functional parent mellein (CHEBI:38760)
6-methoxymellein (CHEBI:16252) is a isochromanes (CHEBI:38762)
Incoming Relation(s)
(R)-6-methoxymellein (CHEBI:2212) is a 6-methoxymellein (CHEBI:16252)
IUPAC Name 
8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
Synonyms  Source
6-Methoxy-8-hydroxy-3-methyl-3,4-dihydroisocoumarinChemIDplus
2,4-Dihydro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-oneChemIDplus
6-Mhmd-isocoumarinChemIDplus
3-methyl-6-methoxy-8-hydroxy-3,4-dihydroisocoumarinChEBI
3,4-dihydro-8-hydroxy-6-methoxy-3-methylisocoumarinChEBI
8-hydroxy-6-methoxy-3-methylisochroman-1-oneChEBI
UniProt Name  Source
6-methoxymelleinUniProt
Registry NumbersSources
Reaxys:169582Reaxys
CAS:6803-02-7ChemIDplus
Citations