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CHEBI:208531 - (3R)-7-hydroxy-3-(3-hydroxypropyl)-8-methoxy-3,4-dihydroisochromen-1-one

ChEBI IDCHEBI:208531
ChEBI Name(3R)-7-hydroxy-3-(3-hydroxypropyl)-8-methoxy-3,4-dihydroisochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1c(O)ccc2c1C(=O)O[C@H](CCCO)C2
InChIInChI=1S/C13H16O5/c1-17-12-10(15)5-4-8-7-9(3-2-6-14)18-13(16)11(8)12/h4-5,9,14-15H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyAEUXTKXETORMQZ-SECBINFHSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (31336899)
ChEBI Ontology
Outgoing Relation(s)
(3R)-7-hydroxy-3-(3-hydroxypropyl)-8-methoxy-3,4-dihydroisochromen-1-one (CHEBI:208531) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-7-hydroxy-3-(3-hydroxypropyl)-8-methoxy-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
75590312ChemSpider