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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:Bryononic acid
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Accession:CHEBI:172017 term browser browse the term
Synonyms:exact_synonym: (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
 related_synonym: Formula=C30H48O3;   InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27+,28+,29+,30-/m0/s1;   InChIKey=BHVJSLPLFOAMEV-FPLINDMSSA-N;   SMILES=O[C@@H]1C([C@]2([C@@](C3=C([C@@]4([C@]([C@]5([C@@](CC4)(CC[C@@](C5)(C)C(O)=O)C)[H])(CC3)C)C)CC2)(CC1)C)[H])(C)C
 xref: CAS:24480-44-2;   Chemspider:415214


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    chemical entity 26024
      molecular entity 25991
        polyatomic entity 25876
          heteroatomic molecular entity 25527
            hydroxides 24049
              organic hydroxy compound 22060
                Bryononic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      p-block molecular entity 25829
                        chalcogen molecular entity 24917
                          oxygen molecular entity 24806
                            hydroxides 24049
                              organic hydroxy compound 22060
                                Bryononic acid 0
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