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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 > ammonium ion derivative > quaternary ammonium ion > (13s,14r)-1,13-dihydroxy-n-methylcanadine
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > (13s,14r)-1,13-dihydroxy-n-methylcanadine
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > (13s,14r)-1,13-dihydroxy-n-methylcanadine
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > (13s,14r)-1,13-dihydroxy-n-methylcanadine
... > chemical entity > molecular entity > ion > cation > organic cation > quaternary ammonium ion > (13s,14r)-1,13-dihydroxy-n-methylcanadine
... > chemical entity > molecular entity > ion > organic ion > organic cation > quaternary ammonium ion > (13s,14r)-1,13-dihydroxy-n-methylcanadine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > quaternary ammonium ion > (13s,14r)-1,13-dihydroxy-n-methylcanadine

Preferred term

(13s,14r)-1,13-dihydroxy-n-methylcanadine  

Type

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

Broader concept

charge

  • +1

formula

  • C21H24NO6

has_functional_parent

inchi

  • InChI=1S/C21H23NO6/c1-22-7-6-11-8-15-21(28-10-27-15)19(24)16(11)17(22)18(23)12-4-5-14(25-2)20(26-3)13(12)9-22/h4-5,8,17-18,23H,6-7,9-10H2,1-3H3/p+1/t17-,18+,22?/m1/s1

inchikey

  • NEHFHOHLVOGDCL-HVHHGIHYSA-O

mass

  • 386.419

monoisotopicmass

  • 386.15981

smiles

  • C1=C2CC[N+]3(CC4=C([C@@H]([C@]3(C2=C(C=5OCOC15)O)[H])O)C=CC(=C4OC)OC)C

subset

  • 3_STAR

synonym EXACT

  • (13S,13aR)-13,14-dihydroxy-9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
  • (13S,14R)-1,13-dihydroxy-N-methylcanadine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141639

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