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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:isotalatizidine
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Accession:CHEBI:132628 term browser browse the term
Definition:A diterpene alkaloid that is aconitane bearing hydroxy groups at the 1alpha, 8, and 14alpha positions and substituted at on the nitrogen and at positions 4 and 16beta by ethyl, methoxymethyl, and methoxy groups, respectively.
Synonyms:exact_synonym: 20-ethyl-16beta-methoxy-4-(methoxymethyl)aconitane-1alpha,8,14alpha-triol
 related_synonym: (1alpha,14alpha,16beta)-20-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol;   Formula=C23H37NO5;   InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1;   InChIKey=RBSZCNOWHDHRFZ-JPAZAREGSA-N;   SMILES=[C@@]123C4[C@@]([C@]5(C[C@@H]([C@]6(C[C@@]1([C@@]5([C@H]6O)[H])[H])[H])OC)O)(C[C@@]2([C@](CC[C@@H]3O)(COC)CN4CC)[H])[H]
 xref: CAS:7633-68-3;   CBA:335013;   CBA:337598;   CBA:338609;   KNApSAcK:C00028417;   PMID:11145143;   PMID:20862641;   PMID:23225552;   PMID:23876370;   PMID:6045606;   PMID:8368077;   PMID:9170290;   Pubchem:11452543;   Reaxys:4940561


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  CHEBI ontology 19786
    role 19732
      application 19423
        refrigerant 17481
          ammonia 17020
            organic amino compound 17019
              tertiary amino compound 8677
                isotalatizidine 0
Path 2
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  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    main group molecular entity 19675
                      s-block molecular entity 19443
                        hydrogen molecular entity 19439
                          hydrides 18763
                            organic hydride 18363
                              organic fundamental parent 18363
                                hydrocarbon 18078
                                  terpene 12719
                                    terpenoid 12288
                                      diterpenoid 11522
                                        diterpene alkaloid 487
                                          aconitane 487
                                            isotalatizidine 0
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