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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 3beta stereoisomer).
Synonyms:exact_synonym: (3beta)-3,23-dihydroxyolean-12-en-28-oic acid
 related_synonym: Astrantiagenin E;   Caulosapogenin;   Formula=C30H48O4;   Hederagenic acid;   Hederagenol;   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;   InChIKey=PGOYMURMZNDHNS-MYPRUECHSA-N;   SMILES=[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
 xref: CAS:465-99-6;   MetaCyc:CPD-9481;   PMID:22005599;   PMID:23530040;   Patent:CN101564405;   Patent:CN102633857;   Patent:CN102697791;   Reaxys:2711855;   Wikipedia:Hederagenin
 cyclic_relationship: is_conjugate_acid_of CHEBI:140466



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Term Annotations click to browse term
  CHEBI ontology 19898
    role 19869
      biological role 19867
        biochemical role 19577
          metabolite 19563
            eukaryotic metabolite 19389
              plant metabolite 18007
                hederagenin 0
                  3-O-[2,3-di-O-acetyl-alpha-L-arabinopyranosyl]-hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 0
                  3-O-[3,4-di-O-acetyl-alpha-L-arabinopyranosyl]hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 0
                  akebia saponin D 0
                  cauloside D 0
                  dipsacussaponin A 0
                  hederagenin 28-O-beta-D-glucopyranoside 0
                  hederagenin 3-O-arabinoside 0
                  kalopanaxsaponin A 0
                  kalopanaxsaponin B 0
                  kalopanaxsaponin C 0
                  salzmannianoside B 0
                  sieboldianoside A 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
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            heteroorganic entity 19535
                              organochalcogen compound 19296
                                organooxygen compound 19213
                                  carbon oxoacid 18682
                                    carboxylic acid 18679
                                      hydroxy carboxylic acid 3867
                                        hydroxy monocarboxylic acid 3867
                                          dihydroxy monocarboxylic acid 277
                                            hederagenin 0
                                              3-O-[2,3-di-O-acetyl-alpha-L-arabinopyranosyl]-hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 0
                                              3-O-[3,4-di-O-acetyl-alpha-L-arabinopyranosyl]hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 0
                                              akebia saponin D 0
                                              cauloside D 0
                                              dipsacussaponin A 0
                                              hederagenin 28-O-beta-D-glucopyranoside 0
                                              hederagenin 3-O-arabinoside 0
                                              kalopanaxsaponin A 0
                                              kalopanaxsaponin B 0
                                              kalopanaxsaponin C 0
                                              salzmannianoside B 0
                                              sieboldianoside A 0
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