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CHEBI:175558 - Licoagrochalcone D

ChEBI IDCHEBI:175558
ChEBI NameLicoagrochalcone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCOc1c(/C=C/C(=O)c2ccc(O)cc2)ccc2c1CC(C(C)(C)O)O2
InChIInChI=1S/C21H22O5/c1-21(2,24)19-12-16-18(26-19)11-7-14(20(16)25-3)6-10-17(23)13-4-8-15(22)9-5-13/h4-11,19,22,24H,12H2,1-3H3/b10-6+
InChIKeyFMKHMNBODOXQLQ-UXBLZVDNSA-N
ChEBI Ontology
Outgoing Relation(s)
Licoagrochalcone D (CHEBI:175558) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-(4-hydroxyphenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-1-benzouran-5-yl]prop-2-en-1-one
Manual XrefsDatabases
LMPK12120422LIPID MAPS
HMDB0035371HMDB
4477418ChemSpider
Registry NumbersSources
CAS:325144-69-2ChemIDplus