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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:hederagenin
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Accession:CHEBI:69579 term browser browse the term
Definition:A sapogenin that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3 and 23 (the 3β stereoisomer).
Synonyms:related_synonym: (3beta)-3,23-dihydroxyolean-12-en-28-oic acid;   Astrantiagenin E;   Caulosapogenin;   Hederagenic acid;   Hederagenol
 xref: CAS:465-99-6;   Patent:CN101564405;   Patent:CN102633857;   Patent:CN102697791;   Reaxys:2711855;   metacyc.compound:CPD-9481;   pubmed:22005599;   pubmed:23530040;   wikipedia.en:Hederagenin
 chemrof_formula: C30H48O4
 chemrof_inchi: InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
 chemrof_inchikey: PGOYMURMZNDHNS-MYPRUECHSA-N
 chemrof_smiles: [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)CO
 cyclic_relationship: has_functional_parent CHEBI:37659;   has_parent_hybride CHEBI:36481;   is_conjugate_acid_of CHEBI:140466



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Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        biochemical role 19888
          metabolite 19624
            eukaryotic metabolite 19368
              plant metabolite 16205
                hederagenin 0
Path 2
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  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            heteroorganic entity 20201
                              organochalcogen compound 19822
                                organooxygen compound 19713
                                  carbon oxoacid 17678
                                    carboxylic acid 17675
                                      hydroxy carboxylic acid 3565
                                        hydroxy monocarboxylic acid 3563
                                          dihydroxy monocarboxylic acid 272
                                            hederagenin 0
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