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CHEBI:181320 - Fumaritine N-oxide

ChEBI IDCHEBI:181320
ChEBI NameFumaritine N-oxide
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FormulaC20H21NO6
Net Charge0
Average Mass371.389
Monoisotopic Mass371.13689
SMILESCOc1cc2c(cc1O)C1(Cc3ccc4c(c3C1O)OCO4)[N+](C)([O-])CC2
InChIInChI=1S/C20H21NO6/c1-21(24)6-5-11-7-16(25-2)14(22)8-13(11)20(21)9-12-3-4-15-18(27-10-26-15)17(12)19(20)23/h3-4,7-8,19,22-23H,5-6,9-10H2,1-2H3
InChIKeyGIGLNPLPIFRSFH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Fumaritine N-oxide (CHEBI:181320) is a isoquinolines (CHEBI:24922)
IUPAC Name 
6-methoxy-2-methyl-2-oxidospiro[3,4-dihydroisoquinolin-2-ium-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7,8'-diol
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