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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 20072
    role 20024
      chemical role 19563
        antioxidant 15693
          sesaminol 0
            sesaminol 2-O-beta-D-gentiobioside 0
Path 2
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  CHEBI ontology 20072
    subatomic particle 20071
      composite particle 20071
        hadron 20071
          baryon 20071
            nucleon 20071
              atomic nucleus 20071
                atom 20071
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19894
                        carbon atom 19887
                          organic molecular entity 19887
                            heteroorganic entity 19577
                              organochalcogen compound 19339
                                organooxygen compound 19239
                                  carbohydrates and carbohydrate derivatives 13962
                                    carbohydrate 13962
                                      carbohydrate derivative 13693
                                        glycosyl compound 12943
                                          glycoside 11756
                                            gentiobioside 2
                                              sesaminol 2-O-beta-D-gentiobioside 0
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