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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:4'-O-beta-glucosyl-7-O-(6-O-sinapoylglucosyl)isovitexin
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Accession:CHEBI:75564 term browser browse the term
Definition:A C-glycosyl compound that is isovitexin substituted at positions 4 and 7 by beta-glucosyl 6-O-sinapoylglucosyl residues respectively
Synonyms:exact_synonym: (1S)-1,5-anhydro-1-{2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-4-oxo-4H-chromen-6-yl}-D-glucitol
 related_synonym: Formula=C44H50O24;   InChI=1S/C44H50O24/c1-60-23-9-16(10-24(61-2)31(23)49)3-8-28(48)62-15-27-34(52)38(56)41(59)44(68-27)66-22-12-21-29(35(53)30(22)42-39(57)36(54)32(50)25(13-45)65-42)19(47)11-20(64-21)17-4-6-18(7-5-17)63-43-40(58)37(55)33(51)26(14-46)67-43/h3-12,25-27,32-34,36-46,49-59H,13-15H2,1-2H3/b8-3+/t25-,26-,27-,32-,33-,34-,36+,37+,38+,39-,40-,41-,42+,43-,44?/m1/s1;   InChIKey=VZEIFXYQETXOPW-JVSXWGSASA-N;   SMILES=COc1cc(\\C=C\\C(=O)OC[C@H]2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O


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Path 1
Term Annotations click to browse term
  CHEBI ontology 24779
    role 24695
      application 23844
        MALDI matrix material 961
          trans-sinapic acid 0
            4'-O-beta-glucosyl-7-O-(6-O-sinapoylglucosyl)isovitexin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24779
    subatomic particle 24738
      composite particle 24738
        hadron 24738
          baryon 24738
            nucleon 24738
              atomic nucleus 24738
                atom 24738
                  main group element atom 24603
                    p-block element atom 24603
                      carbon group element atom 24396
                        carbon atom 24360
                          organic molecular entity 24360
                            organic group 22765
                              organic divalent group 22744
                                organodiyl group 22744
                                  carbonyl group 22731
                                    carbonyl compound 22731
                                      carboxylic acid 21802
                                        monocarboxylic acid 20858
                                          alpha,beta-unsaturated monocarboxylic acid 12882
                                            cinnamic acids 2503
                                              hydroxycinnamic acid 1280
                                                monohydroxycinnamic acid 946
                                                  sinapic acid 11
                                                    trans-sinapic acid 0
                                                      4'-O-beta-glucosyl-7-O-(6-O-sinapoylglucosyl)isovitexin 0
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