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CHEBI:200562 - (+)-(10R)-7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one

ChEBI IDCHEBI:200562
ChEBI Name(+)-(10R)-7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESCc1c(O)cc2c(=O)oc(C[C@@H](C)O)cc2c1C
InChIInChI=1S/C14H16O4/c1-7(15)4-10-5-11-8(2)9(3)13(16)6-12(11)14(17)18-10/h5-7,15-16H,4H2,1-3H3/t7-/m1/s1
InChIKeyDPATWVFAIKWKPY-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - PubMed (25261763)
ChEBI Ontology
Outgoing Relation(s)
(+)-(10R)-7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one (CHEBI:200562) is a isocoumarins (CHEBI:38758)
IUPAC Name 
7-hydroxy-3-[(2R)-2-hydroxypropyl]-5,6-dimethylisochromen-1-one
Manual XrefsDatabases
78442283ChemSpider