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CHEBI:226324 - Erinacerin P

ChEBI IDCHEBI:226324
ChEBI NameErinacerin P
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N2O6
Net Charge0
Average Mass414.458
Monoisotopic Mass414.17909
SMILESCC(=O)c1cn([C@H](N=C(C(=O)O)[C@@H](O)Cc2ccccc2)C(C)C)c(CO)cc1=O
InChIInChI=1S/C22H26N2O6/c1-13(2)21(24-11-17(14(3)26)18(27)10-16(24)12-25)23-20(22(29)30)19(28)9-15-7-5-4-6-8-15/h4-8,10-11,13,19,21,25,28H,9,12H2,1-3H3,(H,29,30)/t19-,21-/m0/s1
InChIKeyNLTBWOYMJODYQC-FPOVZHCZSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/j.tet.2015.10.068)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin P (CHEBI:226324) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3S)-2-[(1R)-1-[5-acetyl-2-(hydroxymethyl)-4-oxopyridin-1-yl]-2-methylpropyl]imino-3-hydroxy-4-phenylbutanoic acid
Manual XrefsDatabases
78437804ChemSpider