EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222297 - 5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methylisocoumarin

ChEBI IDCHEBI:222297
ChEBI Name5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methylisocoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11ClO4
Net Charge0
Average Mass242.658
Monoisotopic Mass242.03459
SMILESCOc1cc(O)c2c(c1Cl)C[C@H](C)OC2=O
InChIInChI=1S/C11H11ClO4/c1-5-3-6-9(11(14)16-5)7(13)4-8(15-2)10(6)12/h4-5,13H,3H2,1-2H3/t5-/m0/s1
InChIKeyWLUQQWRUOSZKGN-YFKPBYRVSA-N
Species of MetaboliteComponentSourceComments
Periconia macrospinosa (ncbitaxon:97972) - PubMed (5388503)
ChEBI Ontology
Outgoing Relation(s)
5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methylisocoumarin (CHEBI:222297) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
5-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
29814903ChemSpider