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CHEBI:185630 - 4-Hydroxyderricin

ChEBI IDCHEBI:185630
ChEBI Name4-Hydroxyderricin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O4
Net Charge0
Average Mass338.403
Monoisotopic Mass338.15181
SMILESCOc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1CC=C(C)C
InChIInChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
InChIKeyXDKYBPGIBVMHHB-KPKJPENVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxyderricin (CHEBI:185630) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Manual XrefsDatabases
4942973ChemSpider
LMPK12120041LIPID MAPS
Registry NumbersSources
CAS:55912-03-3ChemIDplus