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CHEBI:186442 - (Z)-Narceine imide

ChEBI IDCHEBI:186442
ChEBI Name(Z)-Narceine imide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26N2O6
Net Charge0
Average Mass426.469
Monoisotopic Mass426.17909
SMILESCOc1ccc2c(c1OC)C(=O)N/C2=C\c1c(CCN(C)C)cc2c(c1OC)OCO2
InChIInChI=1S/C23H26N2O6/c1-25(2)9-8-13-10-18-22(31-12-30-18)20(28-4)15(13)11-16-14-6-7-17(27-3)21(29-5)19(14)23(26)24-16/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,26)/b16-11-
InChIKeyFNVOXTXQQPJYRS-WJDWOHSUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(Z)-Narceine imide (CHEBI:186442) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3Z)-3-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one
Manual XrefsDatabases
4573058ChemSpider
HMDB0030378HMDB
Registry NumbersSources
CAS:38952-67-9ChemIDplus