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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:yunaconitine
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Accession:CHEBI:132640 term browser browse the term
Definition:A diterpene alkaloid with formula C35H49NO11 that is isolated from several Aconitum species.
Synonyms:exact_synonym: 8-(acetyloxy)-20-ethyl-3alpha,13-dihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl 4-methoxybenzoate
 related_synonym: (1alpha,3alpha,6alpha,14alpha,16beta)-8-(acetyloxy)-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate;   3-alpha,13-Dihydroxyforesaconitine;   Formula=C35H49NO11;   Guayewuanine B;   InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1;   InChIKey=LLEMSCWAKNQHHA-SQJQOUDQSA-N;   Isoaconitine;   SMILES=[C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)(O)[C@@H]6OC(C7=CC=C(C=C7)OC)=O)[H])[H])OC(C)=O)[H])CC)(COC)[C@@H](C[C@@H]3OC)O)[H];   Vilmorrianine B
 xref: CAS:70578-24-4;   CBA:335013;   KNApSAcK:C00029255;   PMID:16755043;   PMID:16959134;   PMID:17432903;   PMID:17555909;   PMID:19021167;   PMID:19894536;   PMID:21061219;   PMID:21417277;   PMID:22430312;   PMID:22841113;   PMID:23450658;   PMID:23784883;   PMID:23785992;   PMID:24216273;   PMID:24380280;   PMID:25470962;   PMID:25508589;   PMID:26481590;   PMID:26767293;   Reaxys:5208037;   Reaxys:5719764;   Reaxys:9376610


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      biological role 19866
        xenobiotic 18753
          yunaconitine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19670
                        hydrogen molecular entity 19651
                          hydrides 19158
                            organic hydride 18704
                              organic fundamental parent 18704
                                hydrocarbon 18452
                                  terpene 14074
                                    terpenoid 13775
                                      diterpenoid 13040
                                        diterpene alkaloid 514
                                          aconitane 503
                                            yunaconitine 0
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