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CHEBI:168180 - 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-hydroxy-2H-chromen-2-one

Default Structure
ChEBI IDCHEBI:168180
ChEBI Name8-[(3,3-dimethyloxiran-2-yl)methyl]-7-hydroxy-2H-chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILESCC1(C)OC1Cc1c(O)ccc2ccc(=O)oc12
InChIInChI=1S/C14H14O4/c1-14(2)11(18-14)7-9-10(15)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3
InChIKeyZRXUWPALAVRZJQ-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)
8-[(3,3-dimethyloxiran-2-yl)methyl]-7-hydroxy-2H-chromen-2-one (CHEBI:168180) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
8-[(3,3-dimethyloxiran-2-yl)methyl]-7-hydroxychromen-2-one
Manual XrefsDatabases
74852985ChemSpider
HMDB0132692HMDB