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CHEBI:168148 - 3-(hydroxymethyl)-1H-isochromen-1-one

ChEBI IDCHEBI:168148
ChEBI Name3-(hydroxymethyl)-1H-isochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H8O3
Net Charge0
Average Mass176.171
Monoisotopic Mass176.04734
SMILESO=c1oc(CO)cc2ccccc12
InChIInChI=1S/C10H8O3/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-5,11H,6H2
InChIKeyDZISGMCWORFTOS-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-(hydroxymethyl)-1H-isochromen-1-one (CHEBI:168148) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-(hydroxymethyl)isochromen-1-one
Manual XrefsDatabases
HMDB0128615HMDB
8505292ChemSpider