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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 19773
    role 19719
      application 19403
        MALDI matrix material 944
          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 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19579
                        carbon atom 19569
                          organic molecular entity 19569
                            organic group 18613
                              organic divalent group 18604
                                organodiyl group 18604
                                  carbonyl group 18521
                                    carbonyl compound 18521
                                      carboxylic acid 18196
                                        monocarboxylic acid 17604
                                          alpha,beta-unsaturated monocarboxylic acid 12221
                                            cinnamic acids 2417
                                              hydroxycinnamic acid 1266
                                                monohydroxycinnamic acid 928
                                                  sinapic acid 11
                                                    trans-sinapic acid 0
                                                      4'-O-beta-glucosyl-7-O-(6-O-sinapoylglucosyl)isovitexin 0
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