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CHEBI:215182 - Erinacerin U

ChEBI IDCHEBI:215182
ChEBI NameErinacerin U
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO7
Net Charge0
Average Mass441.480
Monoisotopic Mass441.17875
SMILESC/C(=C\Cc1c(O)cc2c(c1O)CN(Cc1ccc(CO)o1)C2=O)CC/C=C(\C)C(=O)O
InChIInChI=1S/C24H27NO7/c1-14(4-3-5-15(2)24(30)31)6-9-18-21(27)10-19-20(22(18)28)12-25(23(19)29)11-16-7-8-17(13-26)32-16/h5-8,10,26-28H,3-4,9,11-13H2,1-2H3,(H,30,31)/b14-6+,15-5+
InChIKeyJKGALCIWTMMATC-MRJPKMESSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/j.phytol.2018.05.017)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin U (CHEBI:215182) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2E,6E)-8-[4,6-dihydroxy-2-[[5-(hydroxymethyl)uran-2-yl]methyl]-1-oxo-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid