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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:ginsenoside Re
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Accession:CHEBI:77148 term browser browse the term
Definition:A ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position.
Synonyms:exact_synonym: (3beta,6alpha,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside;   (3beta,6alpha,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
 related_synonym: (20S)-ginsenoside Re;   Chikusetsusaponin IVc;   Formula=C48H82O18;   Ginsenoside B2;   InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1;   InChIKey=PWAOOJDMFUQOKB-WCZZMFLVSA-N;   NSC 308877;   Panaxoside RE;   SMILES=C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@H](CC[C@@]34C)[C@](C)(CCC=C(C)C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O)[C@H](O)[C@H]1O
 alt_id: CHEBI:5359
 xref: CAS:52286-59-6;   KEGG:C08944;   KNApSAcK:C00003518
 xref_mesh: MESH:C049864
 xref: MetaCyc:CPD-15442;   PMID:22031031;   PMID:22849695;   PMID:22850209;   PMID:23063957;   PMID:23194536;   PMID:23202798;   PMID:23411191;   PMID:23545455;   PMID:23896123;   PMID:24054220;   PMID:24198653;   PMID:24228567;   PMID:24345508;   PMID:24430743;   Patent:WO2006001654;   Reaxys:5723316


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  CHEBI ontology 5052
    role 5044
      chemical role 824
        antioxidant 348
          ginsenoside Re 0
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  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbohydrates and carbohydrate derivatives 123
                                    carbohydrate 125
                                      monosaccharide 49
                                        aldose 26
                                          aldohexose 21
                                            glucose 22
                                              D-glucose 21
                                                D-glucopyranose 13
                                                  beta-D-glucose 9
                                                    beta-D-glucoside 9
                                                      ginsenoside Re 0
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