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dianversicoside B - Ontology Report - Rat Genome Database

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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:dianversicoside B
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Accession:CHEBI:65756 term browser browse the term
Definition:A pentacyclic triterpenoid saponin isolated from the aerial parts of Dianthus versicolor. It has been shown to exhibit cytotoxic activity against a panel of cancer cell lines.
Synonyms:related_synonym: 3beta,16alpha-dihydroxyolean-12-en-23alpha,28beta-dioic acid 28-O-[beta-D-glucopyranosyl(1->3)]{[beta-D-glucopyranosyl(1->2)][beta-D-6-O-((3S)-3-hydroxy-3-methylglutaryl)glucopyranosyl(1->6)]}-beta-D-glucopyranoside;   Formula=C60H94O30;   InChI=1S/C60H94O30/c1-54(2)14-15-60(25(16-54)24-8-9-30-56(4)12-11-32(63)59(7,52(78)79)31(56)10-13-57(30,5)58(24,6)17-33(60)64)53(80)90-50-45(77)46(88-48-43(75)40(72)36(68)26(20-61)84-48)39(71)29(86-50)23-83-51-47(89-49-44(76)41(73)37(69)27(21-62)85-49)42(74)38(70)28(87-51)22-82-35(67)19-55(3,81)18-34(65)66/h8,25-33,36-51,61-64,68-77,81H,9-23H2,1-7H3,(H,65,66)(H,78,79)/t25-,26+,27+,28+,29+,30+,31+,32-,33+,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46-,47+,48-,49-,50-,51+,55-,56+,57+,58+,59-,60+/m0/s1;   InChIKey=PNSMADRLWPYERC-USFLOVTGSA-N;   SMILES=[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](COC(=O)C[C@@](C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H]1O
 xref: PMID:19290648;   Reaxys:19700157

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  CHEBI ontology 20856
    role 20816
      biological role 20814
        biochemical role 20261
          antimetabolite 10485
            3-hydroxy-3-methylglutaric acid 0
              dianversicoside B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    p-block element atom 20777
                      carbon group element atom 20710
                        carbon atom 20704
                          organic molecular entity 20704
                            heteroorganic entity 20215
                              organochalcogen compound 19902
                                organooxygen compound 19804
                                  carbon oxoacid 19150
                                    carboxylic acid 19147
                                      monocarboxylic acid 18300
                                        fatty acid 16989
                                          fatty acid derivative 9163
                                            dicarboxylic fatty acid 2658
                                              glutaric acid 22
                                                3-hydroxy-3-methylglutaric acid 0
                                                  dianversicoside B 0
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