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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:grayanotoxin I
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Accession:CHEBI:5542 term browser browse the term
Definition:A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups.
Synonyms:exact_synonym: (14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate
 related_synonym: (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate;   Formula=C22H36O7;   InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1;   InChIKey=NXCYBYJXCJWMRY-VGBBEZPXSA-N;   Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetate;   SMILES=[H][C@]12CC[C@H]3[C@@](C)(O)[C@]4([H])C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]3(C[C@@]1(C)O)[C@@H]2OC(C)=O;   acetylandromedol;   andromedotoxin;   asebotoxin;   grayanotoxane-3,5,6,10,14,16-hexol 14-acetate;   rhodotoxin
 xref: CAS:4720-09-6;   KEGG:C09103;   KNApSAcK:C00003434;   PMID:4293525;   PMID:8481104;   Reaxys:2065643


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  CHEBI ontology 19874
    role 19844
      biological role 19842
        biochemical role 19549
          metabolite 19537
            grayanotoxin I 0
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  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            heteroorganic entity 19505
                              organochalcogen compound 19268
                                organooxygen compound 19184
                                  carbon oxoacid 18654
                                    carboxylic acid 18651
                                      monocarboxylic acid 18000
                                        acetic acid 11083
                                          acetate ester 4056
                                            grayanotoxin I 0
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