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CHEBI:204343 - Isohericerin

ChEBI IDCHEBI:204343
ChEBI NameIsohericerin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO3
Net Charge0
Average Mass419.565
Monoisotopic Mass419.24604
SMILESCOc1cc2c(c(O)c1CC=C(C)CCC=C(C)C)CN(CCc1ccccc1)C2=O
InChIInChI=1S/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-22-25(31-4)17-23-24(26(22)29)18-28(27(23)30)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3
InChIKeyAYUFSIRZXDWSDR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/j.tet.2011.11.068)
ChEBI Ontology
Outgoing Relation(s)
Isohericerin (CHEBI:204343) is a isoindoles (CHEBI:24897)
IUPAC Name 
5-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
Manual XrefsDatabases
78434794ChemSpider