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CHEBI:207777 - 3R-(2R-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine

ChEBI IDCHEBI:207777
ChEBI Name3R-(2R-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILESCc1ccc2c(c1O)C(=O)O[C@@H](C[C@@H](C)O)C2
InChIInChI=1S/C13H16O4/c1-7-3-4-9-6-10(5-8(2)14)17-13(16)11(9)12(7)15/h3-4,8,10,14-15H,5-6H2,1-2H3/t8-,10+/m1/s1
InChIKeyWDCHVRICDGHOKM-SCZZXKLOSA-N
Species of MetaboliteComponentSourceComments
Albatrellopsis confluens (ncbitaxon:2925186) - PubMed (19721259)
ChEBI Ontology
Outgoing Relation(s)
3R-(2R-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine (CHEBI:207777) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-8-hydroxy-3-[(2R)-2-hydroxypropyl]-7-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78441281ChemSpider