EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207700 - (3R,4S)-3,4-dihydro-8-hydroxy-4-methoxy-3-methylisocoumarin

ChEBI IDCHEBI:207700
ChEBI Name(3R,4S)-3,4-dihydro-8-hydroxy-4-methoxy-3-methylisocoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCO[C@H]1c2cccc(O)c2C(=O)O[C@@H]1C
InChIInChI=1S/C11H12O4/c1-6-10(14-2)7-4-3-5-8(12)9(7)11(13)15-6/h3-6,10,12H,1-2H3/t6-,10-/m1/s1
InChIKeyQPZRBNZLAHWNFI-LHLIQPBNSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1007/s10600-014-0976-y)
ChEBI Ontology
Outgoing Relation(s)
(3R,4S)-3,4-dihydro-8-hydroxy-4-methoxy-3-methylisocoumarin (CHEBI:207700) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4S)-8-hydroxy-4-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
67171587ChemSpider