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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:chasmanine
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Accession:CHEBI:132641 term browser browse the term
Definition:A diterpene alkaloid with formula C25H41NO6 that is isolated from several Aconitum species.
Synonyms:exact_synonym: 20-ethyl-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol
 related_synonym: (1alpha,6alpha,14alpha,16beta)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol;   Formula=C25H41NO6;   InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1;   InChIKey=DBODJJZRZFZBBD-RIVIBFSZSA-N;   SMILES=[C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)([H])[C@@H]6O)[H])[H])O)[H])CC)(COC)CC[C@@H]3OC)[H];   Toroko base II
 xref: CAS:5066-78-4;   CBA:266313;   CBA:300080;   CBA:321709;   CBA:331924;   CBA:335013;   CBA:337598;   CBA:337610;   CBA:364496;   CBA:377474;   CBA:377646;   KNApSAcK:C00028038;   PMID:10978212;   PMID:12736463;   PMID:17401992;   PMID:19894536;   PMID:21417277;   PMID:22530673;   PMID:22628040;   PMID:27183898;   Patent:CN101037412;   Pubchem:20055812;   Reaxys:50490;   Reaxys:7945618;   Reaxys:9454564


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Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      application 19668
        pesticide 17931
          antifeedant 1593
            chasmanine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    main group molecular entity 19796
                      s-block molecular entity 19629
                        hydrogen molecular entity 19616
                          hydrides 19122
                            organic hydride 18693
                              organic fundamental parent 18693
                                hydrocarbon 18438
                                  terpene 14069
                                    terpenoid 13769
                                      diterpenoid 13035
                                        diterpene alkaloid 511
                                          aconitane 500
                                            chasmanine 0
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