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CHEBI:206386 - Erinacerin K

ChEBI IDCHEBI:206386
ChEBI NameErinacerin K
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SubmitterMetaboLights
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FormulaC25H27NO7
Net Charge0
Average Mass453.491
Monoisotopic Mass453.17875
SMILESCOC(=O)CC/C(C)=C/Cc1c(O)cc2c(c1O)CN([C@@H](Cc1ccccc1)C(=O)O)C2=O
InChIInChI=1S/C25H27NO7/c1-15(9-11-22(28)33-2)8-10-17-21(27)13-18-19(23(17)29)14-26(24(18)30)20(25(31)32)12-16-6-4-3-5-7-16/h3-8,13,20,27,29H,9-12,14H2,1-2H3,(H,31,32)/b15-8+/t20-/m0/s1
InChIKeyPFCGJFIJZKYTPM-FWAYRLMKSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (25565282)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin K (CHEBI:206386) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-[5,7-dihydroxy-6-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid
Manual XrefsDatabases
78438407ChemSpider