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ONTOLOGY REPORT - ANNOTATIONS


Term:serpentine
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Accession:CHEBI:9119 term browser browse the term
Definition:An indole alkaloid that is 18-oxayohimban dehydrogenated at positions 3, 4, 5, 6, 16 and 17 and substituted by a methyl group at the 19alpha position and by a methoxycarbonyl group at position 16.
Synonyms:exact_synonym: methyl (19alpha)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium-1-ide-16-carboxylate
 related_synonym: (19alpha)-3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium;   (4S,4aR,14aS)-4-methyl-1-[(methyloxy)carbonyl]-4a,5,14,14a-tetrahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizin-6-ium-13-ide;   Formula=C21H20N2O3;   InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16+/m0/s1;   InChIKey=WYTGDNHDOZPMIW-VBNZEHGJSA-N;   SMILES=[C@]12([C@@H](OC=C([C@]1(CC=3[N+](C2)=CC=C4C5=CC=CC=C5[N-]C34)[H])C(=O)OC)C)[H];   Serpentine (alkaloid);   methyl (19alpha)-19-methyl-3,4,5,6,16,17-hexadehydrooxayohimban-4-ium-1-ide-16-carboxylate
 xref: Beilstein:5421116 "Beilstein";   CAS:18786-24-8 "ChemIDplus";   CAS:18786-24-8 "KEGG COMPOUND";   KEGG:C09241;   KNApSAcK:C00001769
 xref_mesh: MESH:C009244
 cyclic_relationship: is_conjugate_base_of CHEBI:142531


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  CHEBI ontology 836
    role 813
      biological role 813
        biochemical role 687
          metabolite 671
            alkaloid 29
              indole alkaloid 7
                serpentine 0
Path 2
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  CHEBI ontology 836
    subatomic particle 820
      composite particle 820
        hadron 820
          baryon 820
            nucleon 820
              atomic nucleus 820
                atom 820
                  main group element atom 808
                    main group molecular entity 806
                      s-block molecular entity 689
                        hydrogen molecular entity 676
                          hydrides 313
                            inorganic hydride 207
                              pnictogen hydride 203
                                nitrogen hydride 203
                                  ammonium 23
                                    ammonium ion derivative 23
                                      quaternary ammonium ion 16
                                        quaternary nitrogen compound 14
                                          iminium betaine 0
                                            serpentine 0
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