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CHEBI:187700 - Paratocarpin B

ChEBI IDCHEBI:187700
ChEBI NameParatocarpin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O4
Net Charge0
Average Mass390.479
Monoisotopic Mass390.18311
SMILESCC(C)=CCc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1O
InChIInChI=1S/C25H26O4/c1-16(2)5-8-18-15-17(6-10-21(18)26)7-11-22(27)19-9-12-23-20(24(19)28)13-14-25(3,4)29-23/h5-7,9-15,26,28H,8H2,1-4H3/b11-7+
InChIKeyWRNYEZGVIHDIGH-YRNVUSSQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Paratocarpin B (CHEBI:187700) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Manual XrefsDatabases
24845888ChemSpider
LMPK12120091LIPID MAPS
Registry NumbersSources
CAS:161099-57-6ChemIDplus