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CHEBI:168490 - 3-(1,2,4-trihydroxybutyl)-1H-isochromen-1-one

ChEBI IDCHEBI:168490
ChEBI Name3-(1,2,4-trihydroxybutyl)-1H-isochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESO=c1oc(C(O)C(O)CCO)cc2ccccc12
InChIInChI=1S/C13H14O5/c14-6-5-10(15)12(16)11-7-8-3-1-2-4-9(8)13(17)18-11/h1-4,7,10,12,14-16H,5-6H2
InChIKeyCKSDGJUQTUSXKR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3-(1,2,4-trihydroxybutyl)-1H-isochromen-1-one (CHEBI:168490) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-(1,2,4-trihydroxybutyl)isochromen-1-one
Manual XrefsDatabases
74852727ChemSpider
HMDB0130064HMDB