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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:6-O-methyldeacetylisoipecoside(1+)
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Accession:CHEBI:229555 term browser browse the term
Definition:An organic cation that is the conjugate acid of 6-O-methyldeacetylisoipecoside, arising from protonation of the secondary amino group; major species at pH 7.3
Synonyms:related_synonym: 6-O-methyl-N-deacetylisoipecoside;   Formula=C26H36NO11;   InChI=1S/C26H35NO11/c1-4-13-15(8-17-14-9-18(29)19(34-2)7-12(14)5-6-27-17)16(24(33)35-3)11-36-25(13)38-26-23(32)22(31)21(30)20(10-28)37-26/h4,7,9,11,13,15,17,20-23,25-32H,1,5-6,8,10H2,2-3H3/p+1/t13-,15+,17+,20-,21-,22+,23-,25+,26+/m1/s1;   InChIKey=BAMBZZTUDRDYEE-QIAPLWSDSA-O;   SMILES=[C@@]1([NH2+]CCC2=C1C=C(O)C(=C2)OC)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)(C=C)[H])[H])[H]
 cyclic_relationship: is_conjugate_acid_of CHEBI:176954;   is_enantiomer_of CHEBI:229558


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      molecular entity 19832
        ion 16711
          organic ion 9871
            organic anion 3614
              6-O-methyldeacetylisoipecoside(1+) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      s-block molecular entity 19620
                        hydrogen molecular entity 19607
                          hydrides 19113
                            inorganic hydride 18117
                              pnictogen hydride 18106
                                nitrogen hydride 18013
                                  ammonium 8311
                                    ammonium ion derivative 8306
                                      6-O-methyldeacetylisoipecoside(1+) 0
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