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CHEBI:198120 - Erinacerin I

ChEBI IDCHEBI:198120
ChEBI NameErinacerin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23NO6
Net Charge0
Average Mass349.383
Monoisotopic Mass349.15254
SMILESCOC(=O)CC/C(C)=C/Cc1c(O)cc2c(c1O)CN(CCO)C2=O
InChIInChI=1S/C18H23NO6/c1-11(4-6-16(22)25-2)3-5-12-15(21)9-13-14(17(12)23)10-19(7-8-20)18(13)24/h3,9,20-21,23H,4-8,10H2,1-2H3/b11-3+
InChIKeyDSGSGFVHXMECPA-QDEBKDIKSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (25565282)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin I (CHEBI:198120) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl (E)-6-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-3H-isoindol-5-yl]-4-methylhex-4-enoate
Manual XrefsDatabases
58968871ChemSpider