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CHEBI:186212 - Orotinichalcone

ChEBI IDCHEBI:186212
ChEBI NameOrotinichalcone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O6
Net Charge0
Average Mass436.504
Monoisotopic Mass436.18859
SMILESCOc1c2c(c(CC=C(C)C)c(O)c1C(=O)/C=C/c1c(O)cccc1O)OC(C)(C)C=C2
InChIInChI=1S/C26H28O6/c1-15(2)9-10-17-23(30)22(21(29)12-11-16-19(27)7-6-8-20(16)28)25(31-5)18-13-14-26(3,4)32-24(17)18/h6-9,11-14,27-28,30H,10H2,1-5H3/b12-11+
InChIKeyKUGIAZMVBJNSTD-VAWYXSNFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Orotinichalcone (CHEBI:186212) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-3-(2,6-dihydroxyphenyl)-1-[7-hydroxy-5-methoxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-en-1-one
Manual XrefsDatabases
10306233ChemSpider
LMPK12120201LIPID MAPS