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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:7-O-(6-sinapoylglucosyl)isovitexin
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Accession:CHEBI:75413 term browser browse the term
Definition:A glycosyloxyflavone that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue.
Synonyms:exact_synonym: (1S)-1,5-anhydro-1-[5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
 related_synonym: Formula=C38H40O19;   InChI=1S/C38H40O19/c1-51-22-9-15(10-23(52-2)29(22)43)3-8-26(42)53-14-25-31(45)34(48)36(50)38(57-25)56-21-12-20-27(18(41)11-19(54-20)16-4-6-17(40)7-5-16)32(46)28(21)37-35(49)33(47)30(44)24(13-39)55-37/h3-12,24-25,30-31,33-40,43-50H,13-14H2,1-2H3/b8-3+/t24-,25-,30-,31-,33+,34+,35-,36-,37+,38?/m1/s1;   InChIKey=AGLOWEFNIHNCIZ-MTNBZWSSSA-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)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
 xref: Reaxys:8305710


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21737
    role 21715
      application 21221
        MALDI matrix material 951
          trans-sinapic acid 0
            7-O-(6-sinapoylglucosyl)isovitexin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21737
    subatomic particle 21723
      composite particle 21723
        hadron 21723
          baryon 21723
            nucleon 21723
              atomic nucleus 21723
                atom 21723
                  main group element atom 21638
                    p-block element atom 21638
                      carbon group element atom 21444
                        carbon atom 21345
                          organic molecular entity 21345
                            organic group 19925
                              organic divalent group 19912
                                organodiyl group 19912
                                  carbonyl group 19897
                                    carbonyl compound 19897
                                      carboxylic acid 19219
                                        monocarboxylic acid 18555
                                          alpha,beta-unsaturated monocarboxylic acid 12266
                                            cinnamic acids 2429
                                              hydroxycinnamic acid 1267
                                                monohydroxycinnamic acid 936
                                                  sinapic acid 11
                                                    trans-sinapic acid 0
                                                      7-O-(6-sinapoylglucosyl)isovitexin 0
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