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CHEBI:209567 - 3-(Hydroxymethyl)-6-methyl-6,7-dihydro-1-benzofuran-4(5H)-one

ChEBI IDCHEBI:209567
ChEBI Name3-(Hydroxymethyl)-6-methyl-6,7-dihydro-1-benzofuran-4(5H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O3
Net Charge0
Average Mass180.203
Monoisotopic Mass180.07864
SMILESC[C@@H]1CC(=O)c2c(CO)coc2C1
InChIInChI=1S/C10H12O3/c1-6-2-8(12)10-7(4-11)5-13-9(10)3-6/h5-6,11H,2-4H2,1H3/t6-/m1/s1
InChIKeyXYMWAGYFGHSFJC-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (18503206)
ChEBI Ontology
Outgoing Relation(s)
3-(Hydroxymethyl)-6-methyl-6,7-dihydro-1-benzofuran-4(5H)-one (CHEBI:209567) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-(hydroxymethyl)-6-methyl-6,7-dihydro-5H-1-benzouran-4-one
Manual XrefsDatabases
26949173ChemSpider