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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:barringtogenol C
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Accession:CHEBI:2994 term browser browse the term
Definition:A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3, 16, 21, 22 and 28 (the 3beta,16alpha,21beta,22alpha stereoisomer).
Synonyms:exact_synonym: (3beta,16alpha,21beta,22alpha)-olean-12-ene-3,16,21,22,28-pentol
 related_synonym: Acutangenol B;   Aescinidin;   Careyagenol A;   Formula=C30H50O5;   Giganteumgenin M;   InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1;   InChIKey=AYDKOFQQBHRXEW-AAUPIIFFSA-N;   Jegosapogenol A;   SMILES=CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O;   Saniculagenin D;   Theasapogenol B
 xref: CAS:13844-01-4;   HMDB:HMDB0034525;   KEGG:C08931;   KNApSAcK:C00003505;   PMID:12444677;   PMID:7764822;   Reaxys:2229015



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Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      biological role 19868
        biochemical role 19579
          metabolite 19566
            eukaryotic metabolite 19390
              plant metabolite 18006
                barringtogenol C 0
                  clethroidoside B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    main group molecular entity 19836
                      s-block molecular entity 19670
                        hydrogen molecular entity 19652
                          hydrides 19162
                            organic hydride 18715
                              organic fundamental parent 18715
                                hydrocarbon 18462
                                  terpene 14085
                                    triterpene 1241
                                      triterpenoid 1237
                                        pentacyclic triterpenoid 492
                                          barringtogenol C 0
                                            clethroidoside B 0
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