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CHEBI:187439 - Isoneobavachalcone

ChEBI IDCHEBI:187439
ChEBI NameIsoneobavachalcone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O5
Net Charge0
Average Mass298.294
Monoisotopic Mass298.08412
SMILESCOc1cc(O)c(C=O)cc1C(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C17H14O5/c1-22-17-9-16(21)12(10-18)8-14(17)15(20)7-4-11-2-5-13(19)6-3-11/h2-10,19,21H,1H3/b7-4+
InChIKeyBEHXEFBQMCUZNX-QPJJXVBHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isoneobavachalcone (CHEBI:187439) is a phenols (CHEBI:33853)
IUPAC Name 
2-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-methoxybenzaldehyde
Manual XrefsDatabases
4477142ChemSpider
LMPK12120072LIPID MAPS