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CHEBI:197113 - 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone

ChEBI IDCHEBI:197113
ChEBI Name1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O4
Net Charge0
Average Mass324.376
Monoisotopic Mass324.13616
SMILESCC1=CCc2c(cc(O)c(C(=O)CCc3ccccc3)c2O)OC1
InChIInChI=1S/C20H20O4/c1-13-7-9-15-18(24-12-13)11-17(22)19(20(15)23)16(21)10-8-14-5-3-2-4-6-14/h2-7,11,22-23H,8-10,12H2,1H3
InChIKeyIDWBWCUFKGRGML-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone (CHEBI:197113) is a chalcones (CHEBI:23086)
IUPAC Name 
1-(6,8-dihydroxy-3-methyl-2,5-dihydro-1-benzoxepin-7-yl)-3-phenylpropan-1-one
Manual XrefsDatabases
24846082ChemSpider
LMPK12120501LIPID MAPS