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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:(+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside
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Accession:CHEBI:66605 term browser browse the term
Definition:A lignan that consists of (+)-lyoniresinol attached to two beta-D-glucopyranosyl units at positions 4 and 4' via glycosidic linkages. Isolated from Indigofera heterantha, it exhibits inhibitory activity against lipoxygenase.
Synonyms:exact_synonym: 4-[(1S,2R,3R)-7-(beta-D-glucopyranosyloxy)-2,3-bis(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,6-dimethoxyphenyl beta-D-glucopyranoside
 related_synonym: Formula=C34H48O18;   InChI=1S/C34H48O18/c1-45-17-7-14(8-18(46-2)30(17)51-33-28(43)26(41)24(39)20(11-37)49-33)22-16(10-36)15(9-35)5-13-6-19(47-3)31(32(48-4)23(13)22)52-34-29(44)27(42)25(40)21(12-38)50-34/h6-8,15-16,20-22,24-29,33-44H,5,9-12H2,1-4H3/t15-,16-,20+,21+,22+,24+,25+,26-,27-,28+,29+,33-,34-/m0/s1;   InChIKey=WDBFWRZVSDUFTE-AUWKFTQZSA-N;   SMILES=COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c12
 xref: PMID:15744094;   Reaxys:10142896



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  CHEBI ontology 19803
    role 19779
      biological role 19806
        biochemical role 19514
          metabolite 19501
            (+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside 0
Path 2
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  CHEBI ontology 19803
    subatomic particle 19801
      composite particle 19801
        hadron 19830
          baryon 19830
            nucleon 19830
              atomic nucleus 19830
                atom 19801
                  main group element atom 19780
                    p-block element atom 19780
                      carbon group element atom 19728
                        carbon atom 19725
                          organic molecular entity 19725
                            heteroorganic entity 19479
                              organochalcogen compound 19214
                                organooxygen compound 19129
                                  carbohydrates and carbohydrate derivatives 15262
                                    carbohydrate 15280
                                      monosaccharide 4795
                                        aldose 3214
                                          aldohexose 2870
                                            glucose 2825
                                              D-glucose 2823
                                                D-glucopyranose 1807
                                                  beta-D-glucose 1658
                                                    beta-D-glucoside 1464
                                                      (+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside 0
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