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CHEBI:205109 - Erinacerin L

ChEBI IDCHEBI:205109
ChEBI NameErinacerin L
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27NO7
Net Charge0
Average Mass453.491
Monoisotopic Mass453.17875
SMILESCOC(=O)C/C=C(\C)CCc1c(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/h3-7,9,13,20,27,29H,8,10-12,14H2,1-2H3,(H,31,32)/b15-9+/t20-/m0/s1
InChIKeySKICNQZNRWSMIZ-ULXKQSRTSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (25565282)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin L (CHEBI:205109) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-[5,7-dihydroxy-6-[(E)-6-methoxy-3-methyl-6-oxohex-3-enyl]-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid
Manual XrefsDatabases
78437237ChemSpider