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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:senbusine A
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Accession:CHEBI:132631 term browser browse the term
Definition:A diterpene alkaloid with formula C23H37NO6 that is isolated from several Aconitum species.
Synonyms:exact_synonym: 20-ethyl-16beta-methoxy-4-(methoxymethyl)aconitane-1alpha,6alpha,8,14alpha-tetrol
 related_synonym: (1alpha,6alpha,14alpha,16beta)-20-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,6,8,14-tetrol;   Formula=C23H37NO6;   InChI=1S/C23H37NO6/c1-4-24-9-21(10-29-2)6-5-14(25)23-12-7-11-13(30-3)8-22(28,15(12)17(11)26)16(20(23)24)18(27)19(21)23/h11-20,25-28H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17+,18+,19-,20?,21+,22-,23+/m1/s1;   InChIKey=FNRMXORIKJLSGX-LZJIYQGWSA-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@@H]([C@@]2([C@](CC[C@@H]3O)(COC)CN4CC)[H])O)[H]
 xref: CAS:82202-95-7;   CBA:377646;   KNApSAcK:C00028990;   PMID:17432903;   PMID:23876370;   PMID:26240038;   PMID:27328130;   Reaxys:22870075;   Reaxys:6874599;   Reaxys:7827809



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        NMR chemical shift reference compound 0
          ammonia 0
            organic amino compound 0
              tertiary amino compound 0
                senbusine A 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
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                                hydrocarbon 0
                                  terpene 0
                                    terpenoid 0
                                      diterpenoid 0
                                        diterpene alkaloid 0
                                          aconitane 0
                                            senbusine A 0
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