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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > tropane alkaloid > gardneramine-n(4)-oxide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > n-oxide > tertiary amine oxide > gardneramine-n(4)-oxide

Preferred term

gardneramine-n(4)-oxide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C23H28N2O6

has_role

inchi

  • InChI=1S/C23H28N2O6/c1-27-6-5-12-10-25(26)15-9-23-18(25)7-13(12)14(15)11-31-22(23)24-20-16(28-2)8-17(29-3)21(30-4)19(20)23/h5,8,13-15,18H,6-7,9-11H2,1-4H3/b12-5+/t13-,14-,15-,18-,23-,25?/m0/s1

inchikey

  • KYRGYFIBUVLRAO-WBZVWLCISA-N

mass

  • 428.47820

monoisotopicmass

  • 428.19474

smiles

  • [H][C@]12C[C@@]3([H])[C@]45C[C@@]([H])([C@@]1([H])COC4=Nc1c(OC)cc(OC)c(OC)c51)[N+]3([O-])C/C2=C/COC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67520

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