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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 19848
    role 19824
      biological role 19822
        biochemical role 19533
          metabolite 19519
            eukaryotic metabolite 19342
              plant metabolite 17961
                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 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            heteroorganic entity 19495
                              organochalcogen compound 19257
                                organooxygen compound 19175
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      hydroxy carboxylic acid 3854
                                        hydroxy monocarboxylic acid 3854
                                          dihydroxy monocarboxylic acid 276
                                            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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