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CHEBI:187469 - Castillene E

ChEBI IDCHEBI:187469
ChEBI NameCastillene E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O4
Net Charge0
Average Mass282.295
Monoisotopic Mass282.08921
SMILESO=C(c1ccc2occc2c1O)C(O)Cc1ccccc1
InChIInChI=1S/C17H14O4/c18-14(10-11-4-2-1-3-5-11)17(20)13-6-7-15-12(16(13)19)8-9-21-15/h1-9,14,18-19H,10H2
InChIKeyVRFVOPNFIDHBED-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Castillene E (CHEBI:187469) is a chalcones (CHEBI:23086)
IUPAC Name 
2-hydroxy-1-(4-hydroxy-1-benzouran-5-yl)-3-phenylpropan-1-one
Manual XrefsDatabases
LMPK12120570LIPID MAPS
157010ChemSpider
Registry NumbersSources
CAS:126585-64-6ChemIDplus