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CHEBI:200761 - Erinacerin S

ChEBI IDCHEBI:200761
ChEBI NameErinacerin S
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19NO6
Net Charge0
Average Mass345.351
Monoisotopic Mass345.12124
SMILESC/C(=C\Cc1c(O)cc2c(c1O)C(=O)NC2=O)CC/C=C(\C)C(=O)O
InChIInChI=1S/C18H19NO6/c1-9(4-3-5-10(2)18(24)25)6-7-11-13(20)8-12-14(15(11)21)17(23)19-16(12)22/h5-6,8,20-21H,3-4,7H2,1-2H3,(H,24,25)(H,19,22,23)/b9-6+,10-5+
InChIKeyUCVWIZICIZWNPQ-TXFIJWAUSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/j.tet.2015.10.068)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin S (CHEBI:200761) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2E,6E)-8-(4,6-dihydroxy-1,3-dioxoisoindol-5-yl)-2,6-dimethylocta-2,6-dienoic acid
Manual XrefsDatabases
78434676ChemSpider