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CHEBI:205302 - Erinacerin C

ChEBI IDCHEBI:205302
ChEBI NameErinacerin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21NO5
Net Charge0
Average Mass331.368
Monoisotopic Mass331.14197
SMILESC/C(=C\Cc1c(O)cc2c(c1O)CNC2=O)CC/C=C(\C)C(=O)O
InChIInChI=1S/C18H21NO5/c1-10(4-3-5-11(2)18(23)24)6-7-12-15(20)8-13-14(16(12)21)9-19-17(13)22/h5-6,8,20-21H,3-4,7,9H2,1-2H3,(H,19,22)(H,23,24)/b10-6+,11-5+
InChIKeyNPGOXHBMJMZANB-NVOKHFLUSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (25565282)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin C (CHEBI:205302) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2E,6E)-8-(4,6-dihydroxy-1-oxo-2,3-dihydroisoindol-5-yl)-2,6-dimethylocta-2,6-dienoic acid
Manual XrefsDatabases
58968116ChemSpider