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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 20059
    role 20009
      biological role 20008
        biochemical role 19630
          metabolite 19611
            eukaryotic metabolite 19318
              plant metabolite 17579
                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
                  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 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19873
                          organic molecular entity 19873
                            organic group 18943
                              organic divalent group 18928
                                organodiyl group 18928
                                  carbonyl group 18877
                                    carbonyl compound 18877
                                      carboxylic acid 18565
                                        hydroxy carboxylic acid 3712
                                          hydroxy monocarboxylic acid 3712
                                            dihydroxy monocarboxylic acid 256
                                              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
                                                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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