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CHEBI:7687 - O-Methylptelefolonium

ChEBI IDCHEBI:7687
ChEBI NameO-Methylptelefolonium
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H22NO4
Net Charge+1
Average Mass316.377
Monoisotopic Mass316.15433
SMILES[H]C1(C(=C)C)Cc2c(OC)c3cc(OC)cc(OC)c3[n+](C)c2O1
InChIInChI=1S/C18H22NO4/c1-10(2)14-9-13-17(22-6)12-7-11(20-4)8-15(21-5)16(12)19(3)18(13)23-14/h7-8,14H,1,9H2,2-6H3/q+1
InChIKeyGZDGTOJAUNXBGU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
O-Methylptelefolonium (CHEBI:7687) is a organic heterotricyclic compound (CHEBI:26979)
O-Methylptelefolonium (CHEBI:7687) is a organonitrogen heterocyclic compound (CHEBI:38101)
O-Methylptelefolonium (CHEBI:7687) is a oxacycle (CHEBI:38104)
Synonym  Source
O-MethylptelefoloniumKEGG COMPOUND
Manual XrefsDatabases
C10732KEGG COMPOUND
C00002190KNApSAcK
Registry NumbersSources
CAS:52768-97-5KEGG COMPOUND