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CHEBI:209627 - Epurpurin B

ChEBI IDCHEBI:209627
ChEBI NameEpurpurin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20N2O2
Net Charge0
Average Mass356.425
Monoisotopic Mass356.15248
SMILESCC(C)=CCc1cc(/C=C(C#N)/C(C#N)=C/c2ccc(O)cc2)ccc1O
InChIInChI=1S/C23H20N2O2/c1-16(2)3-7-19-12-18(6-10-23(19)27)13-21(15-25)20(14-24)11-17-4-8-22(26)9-5-17/h3-6,8-13,26-27H,7H2,1-2H3/b20-11+,21-13+
InChIKeyMEHGRNDEWRTQNA-VZLKJUJQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1248/cpb.44.2227)
ChEBI Ontology
Outgoing Relation(s)
Epurpurin B (CHEBI:209627) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(2Z,3Z)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methylidene]-3-[(4-hydroxyphenyl)methylidene]butanedinitrile
Manual XrefsDatabases
8817360ChemSpider