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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:gypsosaponin B
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Accession:CHEBI:65993 term browser browse the term
Definition:A triterpenoid saponin with gypsogenin as the aglycone species. It is isolated from the roots of Gypsophila oldhamiana and exhibits inhibitory activity against pancreatic lipase.
Synonyms:exact_synonym: beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)]-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(3beta)-3-{[beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-6-methyl-beta-D-glucopyranuronosyl]oxy}-23,28-dioxoolean-12-en-28-yl]-beta-D-galactopyranose
 related_synonym: 3-O-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]methyl-beta-D-glucuronopyranosyl gypsogenin 28-O-beta-D-glucopyranosyl-(1->3)[beta-D-xylopyranosyl-(1->4)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-fucopyranoside;   Formula=C71H112O36;   InChI=1S/C71H112O36/c1-26-37(77)44(84)55(105-62-50(90)53(103-60-47(87)42(82)40(80)32(21-72)98-60)51(27(2)97-62)101-58-45(85)38(78)30(75)23-94-58)63(96-26)107-65(92)71-18-16-66(3,4)20-29(71)28-10-11-35-67(5)14-13-36(68(6,25-74)34(67)12-15-70(35,8)69(28,7)17-19-71)100-64-56(106-61-48(88)43(83)41(81)33(22-73)99-61)52(49(89)54(104-64)57(91)93-9)102-59-46(86)39(79)31(76)24-95-59/h10,25-27,29-56,58-64,72-73,75-90H,11-24H2,1-9H3/t26-,27+,29+,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43+,44+,45-,46-,47-,48-,49+,50-,51+,52+,53+,54+,55-,56-,58+,59+,60+,61+,62+,63+,64-,67+,68+,69-,70-,71+/m1/s1;   InChIKey=AGJYKHGGYNIQGQ-KSEKXDIWSA-N;   SMILES=[H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@@H]([C@@H](O)[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@]6([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(=O)OC)[C@@](C)(C=O)[C@]5([H])CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
 xref: PMID:17409564;   Reaxys:11101556


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  CHEBI ontology 19899
    role 19870
      application 19713
        fuel 11379
          methanol 3992
            methyl ester 3937
              gypsosaponin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19537
                              organochalcogen compound 19297
                                organooxygen compound 19215
                                  carbon oxoacid 18693
                                    carboxylic acid 18690
                                      carboacyl group 17730
                                        univalent carboacyl group 17730
                                          formyl group 9388
                                            aldehyde 9388
                                              gypsogenin 0
                                                gypsosaponin B 0
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