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CHEBI:172559 - Licoagrochalcone B

ChEBI IDCHEBI:172559
ChEBI NameLicoagrochalcone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O4
Net Charge0
Average Mass336.387
Monoisotopic Mass336.13616
SMILESCOc1c(/C=C/C(=O)c2ccc(O)cc2)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C21H20O4/c1-21(2)13-12-17-19(25-21)11-7-15(20(17)24-3)6-10-18(23)14-4-8-16(22)9-5-14/h4-13,22H,1-3H3/b10-6+
InChIKeyBOJUBZPEDAAMPG-UXBLZVDNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Licoagrochalcone B (CHEBI:172559) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-(4-hydroxyphenyl)-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Manual XrefsDatabases
4477416ChemSpider
HMDB0035501HMDB
LMPK12120430LIPID MAPS
Registry NumbersSources
CAS:325144-67-0ChemIDplus