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CHEBI:218068 - Hericenone B

ChEBI IDCHEBI:218068
ChEBI NameHericenone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO4
Net Charge0
Average Mass433.548
Monoisotopic Mass433.22531
SMILESCOc1cc2c(c(O)c1C/C=C(\C)CC(=O)C=C(C)C)C(=O)N(CCc1ccccc1)C2
InChIInChI=1S/C27H31NO4/c1-18(2)14-22(29)15-19(3)10-11-23-24(32-4)16-21-17-28(27(31)25(21)26(23)30)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+
InChIKeyZJTHOPGQZOXEJX-VXLYETTFSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/s0040-4039(00)94558-1)
ChEBI Ontology
Outgoing Relation(s)
Hericenone B (CHEBI:218068) is a isoindoles (CHEBI:24897)
IUPAC Name 
6-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
Manual XrefsDatabases
78434889ChemSpider