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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:soyasaponin I
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Accession:CHEBI:9211 term browser browse the term
Definition:A triterpenoid saponin that is composed of soyasapogenol B having an alpha-L-rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid moiety attached at the 3-position via a glycosidic linkage.
Synonyms:exact_synonym: (3beta,22beta)-22,24-dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
 related_synonym: (3beta,22beta)-22,24-dihydroxyolean-12-en-3-yl alpha-L-rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid;   Formula=C48H78O18;   InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1;   InChIKey=PTDAHAWQAGSZDD-IOVCITQVSA-N;   SMILES=[H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(O)=O)[C@](C)(CO)[C@]3([H])CC[C@@]12C;   soyasaponin 1;   soyasaponin Bb
 xref: CAS:51330-27-9;   KEGG:C08983;   KNApSAcK:C00003553
 xref_mesh: MESH:C056684
 xref: MetaCyc:CPD-13255;   PMID:11394903;   PMID:1294698;   PMID:19060406;   PMID:20350545;   PMID:20923188;   PMID:9491761;   PMID:9501471;   Patent:JP2010018552;   Reaxys:5375730
 cyclic_relationship: is_conjugate_acid_of CHEBI:62916


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Path 1
Term Annotations click to browse term
  CHEBI ontology 499
    role 499
      biological role 499
        biochemical role 459
          metabolite 450
            saponin 14
              triterpenoid saponin 0
                soyasaponin I 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbohydrates and carbohydrate derivatives 48
                                    carbohydrate 48
                                      carbohydrate derivative 43
                                        glycosyl compound 34
                                          glycoside 29
                                            saponin 14
                                              triterpenoid saponin 0
                                                soyasaponin I 0
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