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CHEBI:180529 - Isomajdine

ChEBI IDCHEBI:180529
ChEBI NameIsomajdine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28N2O6
Net Charge0
Average Mass428.485
Monoisotopic Mass428.19474
SMILESCOC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5c4ccc(OC)c5OC)C3CC12
InChIInChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27)
InChIKeyTTZWEOINXHJHCY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
Isomajdine (CHEBI:180529) is a indolizines (CHEBI:38485)
IUPAC Name 
methyl 6',7'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-]indolizine-6,3'-1H-indole]-4-carboxylate
Manual XrefsDatabases
2982663ChemSpider