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CHEBI:209082 - Erinacerin Q

ChEBI IDCHEBI:209082
ChEBI NameErinacerin Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO5
Net Charge0
Average Mass435.520
Monoisotopic Mass435.20457
SMILESC/C(=C\Cc1c(O)cc2c(c1O)CN(CCc1ccccc1)C2=O)CC/C=C(\C)C(=O)O
InChIInChI=1S/C26H29NO5/c1-17(7-6-8-18(2)26(31)32)11-12-20-23(28)15-21-22(24(20)29)16-27(25(21)30)14-13-19-9-4-3-5-10-19/h3-5,8-11,15,28-29H,6-7,12-14,16H2,1-2H3,(H,31,32)/b17-11+,18-8+
InChIKeyRCSZDHOTYXTJOY-HVIJAGLHSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/j.tet.2015.10.068)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin Q (CHEBI:209082) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2E,6E)-8-[4,6-dihydroxy-1-oxo-2-(2-phenylethyl)-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid
Manual XrefsDatabases
78435092ChemSpider