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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-(6-methoxycaffeoyl)glucosyl]isovitexin
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Accession:CHEBI:75420 term browser browse the term
Definition:A glycosyloxyflavone that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a 6-(6-methoxycaffeoyl)glucosyl residue.
Synonyms:exact_synonym: (1S)-1,5-anhydro-1-[7-({6-O-[(2E)-3-(4,5-dihydroxy-2-methoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
 related_synonym: Formula=C37H38O19;   InChI=1S/C37H38O19/c1-51-20-9-18(41)17(40)8-15(20)4-7-26(43)52-13-25-30(45)33(48)35(50)37(56-25)55-23-11-22-27(19(42)10-21(53-22)14-2-5-16(39)6-3-14)31(46)28(23)36-34(49)32(47)29(44)24(12-38)54-36/h2-11,24-25,29-30,32-41,44-50H,12-13H2,1H3/b7-4+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1;   InChIKey=HPGBQVVVFYXYSD-CSZGJEGXSA-N;   SMILES=COc1cc(O)c(O)cc1\\C=C\\C(=O)OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        flavonoid 0
                                          anthoxanthin 0
                                            flavones 0
                                              hydroxyflavone 0
                                                trihydroxyflavone 0
                                                  apigenin 0
                                                    isovitexin 0
                                                      7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin 0
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