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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-feruoylglucosyl)isoorientin
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Accession:CHEBI:75517 term browser browse the term
Definition:A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a 6-feruloylglucosyl residue.
Synonyms:exact_synonym: (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-4-oxo-4N-chromen-6-yl]-D-glucitol
 related_synonym: Formula=C37H38O19;   InChI=1S/C37H38O19/c1-51-21-8-14(2-5-17(21)40)3-7-26(43)52-13-25-30(45)33(48)35(50)37(56-25)55-23-11-22-27(19(42)10-20(53-22)15-4-6-16(39)18(41)9-15)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/b7-3+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1;   InChIKey=CRZJAZVDNXUPOH-STCLERKASA-N;   SMILES=COc1cc(ccc1O)\\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)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
 xref: Reaxys:9607762


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  CHEBI ontology 24775
    role 24693
      chemical role 22996
        antioxidant 14890
          ferulic acid 939
            7-O-(6-feruoylglucosyl)isoorientin 0
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  CHEBI ontology 24775
    subatomic particle 24735
      composite particle 24735
        hadron 24735
          baryon 24735
            nucleon 24735
              atomic nucleus 24735
                atom 24735
                  main group element atom 24601
                    p-block element atom 24601
                      carbon group element atom 24393
                        carbon atom 24357
                          organic molecular entity 24357
                            organic group 22763
                              organic divalent group 22742
                                organodiyl group 22742
                                  carbonyl group 22729
                                    carbonyl compound 22729
                                      carboxylic acid 21798
                                        monocarboxylic acid 20853
                                          alpha,beta-unsaturated monocarboxylic acid 12883
                                            cinnamic acids 2502
                                              hydroxycinnamic acid 1279
                                                monohydroxycinnamic acid 945
                                                  ferulic acids 939
                                                    ferulic acid 939
                                                      7-O-(6-feruoylglucosyl)isoorientin 0
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