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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 909
    role 868
      application 503
        MALDI matrix material 3
          trans-sinapic acid 0
            7-O-(6-sinapoylglucosyl)isovitexin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 909
    subatomic particle 894
      composite particle 894
        hadron 894
          baryon 894
            nucleon 894
              atomic nucleus 894
                atom 894
                  main group element atom 863
                    p-block element atom 860
                      carbon group element atom 836
                        carbon atom 835
                          organic molecular entity 835
                            organic group 393
                              organic divalent group 391
                                organodiyl group 391
                                  carbonyl group 390
                                    carbonyl compound 390
                                      carboxylic acid 268
                                        monocarboxylic acid 134
                                          alpha,beta-unsaturated monocarboxylic acid 15
                                            cinnamic acids 8
                                              hydroxycinnamic acid 6
                                                monohydroxycinnamic acid 1
                                                  sinapic acid 0
                                                    trans-sinapic acid 0
                                                      7-O-(6-sinapoylglucosyl)isovitexin 0
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