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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 Rb3
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Accession:CHEBI:77153 term browser browse the term
Definition:A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position.
Synonyms:exact_synonym: (3beta,12beta)-20-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
 related_synonym: Formula=C53H90O22;   InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1;   InChIKey=NODILNFGTFIURN-USYOXQFSSA-N;   SMILES=CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[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(C)(C)[C@@H]3CC[C@@]21C
 xref: CAS:68406-26-8;   MetaCyc:CPD-15453;   PMID:19655413;   PMID:20371232;   PMID:20662827;   PMID:20969942;   PMID:21158074;   PMID:21186573;   PMID:21591990;   PMID:21948936;   Patent:CN101390887;   Patent:CN101856365;   Patent:KR20120001996;   Reaxys:5724307



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  CHEBI ontology 19800
    role 19751
      chemical role 19320
        antioxidant 14438
          ginsenoside Rb3 0
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  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            heteroorganic entity 19278
                              organochalcogen compound 19052
                                organooxygen compound 18998
                                  carbohydrates and carbohydrate derivatives 12342
                                    carbohydrate 12342
                                      monosaccharide 4306
                                        aldose 2691
                                          aldohexose 2330
                                            glucose 2294
                                              D-glucose 2294
                                                D-glucopyranose 1761
                                                  beta-D-glucose 1625
                                                    beta-D-glucoside 1429
                                                      ginsenoside Rb3 0
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