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CHEBI:204582 - Epurpurin A

ChEBI IDCHEBI:204582
ChEBI NameEpurpurin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N2O2
Net Charge0
Average Mass424.544
Monoisotopic Mass424.21508
SMILESCC(C)=CCc1cc(/C=C(C#N)/C(C#N)=C/c2ccc(O)c(CC=C(C)C)c2)ccc1O
InChIInChI=1S/C28H28N2O2/c1-19(2)5-9-23-13-21(7-11-27(23)31)15-25(17-29)26(18-30)16-22-8-12-28(32)24(14-22)10-6-20(3)4/h5-8,11-16,31-32H,9-10H2,1-4H3/b25-15+,26-16+
InChIKeyHLKVIBAPKJHKOQ-RYQLWAFASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1248/cpb.44.2227)
ChEBI Ontology
Outgoing Relation(s)
Epurpurin A (CHEBI:204582) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(2Z,3Z)-2,3-bis[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methylidene]butanedinitrile
Manual XrefsDatabases
8940126ChemSpider