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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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Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      application 863
        NMR chemical shift reference compound 419
          ammonia 391
            organic amino compound 284
              tertiary amino compound 69
                senbusine A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    main group molecular entity 5012
                      s-block molecular entity 4970
                        hydrogen molecular entity 4964
                          hydrides 4544
                            organic hydride 4388
                              organic fundamental parent 4388
                                hydrocarbon 4348
                                  terpene 4294
                                    terpenoid 4294
                                      diterpenoid 22
                                        diterpene alkaloid 0
                                          aconitane 0
                                            senbusine A 0
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