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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:kalopanaxsaponin A
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Accession:CHEBI:69370 term browser browse the term
Definition:A triterpenoid saponin that is hederagenin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the stem bark of Kalopanax pictus.
Synonyms:exact_synonym: 3beta-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid
 related_synonym: 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl hederagenin;   Formula=C41H66O12;   InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1;   InChIKey=KEOITPILCOILGM-LLJOFIFVSA-N;   SMILES=C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O;   akebiasaponin PD;   akeboside Stc;   alpha-hederin;   glycoside L-E1;   hederoside C;   helixin;   kizutasaponin K6;   koronaroside A;   prosapogenin CP3b;   sapindoside A;   tauroside E
 xref: CAS:27013-91-8;   KEGG:C08954;   KNApSAcK:C00003528
 xref_mesh: MESH:C010177
 xref: PMID:21870831;   Reaxys:76156



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  CHEBI ontology 19795
    role 19746
      application 19492
        anti-inflammatory agent 15837
          kalopanaxsaponin A 0
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  CHEBI ontology 19795
    subatomic particle 19794
      composite particle 19794
        hadron 19794
          baryon 19794
            nucleon 19794
              atomic nucleus 19794
                atom 19794
                  main group element atom 19693
                    p-block element atom 19693
                      carbon group element atom 19614
                        carbon atom 19604
                          organic molecular entity 19604
                            heteroorganic entity 19273
                              organochalcogen compound 19047
                                organooxygen compound 18993
                                  carbohydrates and carbohydrate derivatives 12344
                                    carbohydrate 12344
                                      carbohydrate derivative 11948
                                        glycosyl compound 10985
                                          glycoside 9267
                                            saponin 428
                                              triterpenoid saponin 366
                                                kalopanaxsaponin A 0
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