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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:sesaminol 2-O-beta-D-gentiobioside
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Accession:CHEBI:145785 term browser browse the term
Definition:A disaccharide derivative that is sesaminol in which the hydroxy group at position 5 has been substituted by a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside group. It is a metabolite found in sesame seeds.
Synonyms:exact_synonym: 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
 related_synonym: (+)-sesaminol 2-O-beta-D-glucosyl (1->6)-O-beta-D-glucoside;   Formula=C32H38O17;   InChI=1S/C32H38O17/c33-6-21-23(34)25(36)27(38)31(48-21)42-9-22-24(35)26(37)28(39)32(49-22)47-17-5-20-19(45-11-46-20)4-13(17)30-15-8-40-29(14(15)7-41-30)12-1-2-16-18(3-12)44-10-43-16/h1-5,14-15,21-39H,6-11H2/t14-,15-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1;   InChIKey=YIGQNWGFLQZODP-SFMWUWOUSA-N;   SMILES=C1[C@@]2([H])[C@@](CO[C@@H]2C=3C=CC4=C(C3)OCO4)([H])[C@H](O1)C5=CC6=C(C=C5O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)OCO6
 xref: MetaCyc:CPD-14839;   PMID:18248594;   PMID:19561332


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  CHEBI ontology 19879
    role 19850
      chemical role 19480
        antioxidant 16173
          sesaminol 0
            sesaminol 2-O-beta-D-gentiobioside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19879
    subatomic particle 19877
      composite particle 19877
        hadron 19877
          baryon 19877
            nucleon 19877
              atomic nucleus 19877
                atom 19877
                  main group element atom 19816
                    p-block element atom 19816
                      carbon group element atom 19756
                        carbon atom 19753
                          organic molecular entity 19753
                            heteroorganic entity 19521
                              organochalcogen compound 19281
                                organooxygen compound 19199
                                  carbohydrates and carbohydrate derivatives 15307
                                    carbohydrate 15307
                                      carbohydrate derivative 14331
                                        glycosyl compound 13073
                                          glycoside 11848
                                            gentiobioside 7
                                              sesaminol 2-O-beta-D-gentiobioside 0
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