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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:(2E)-3-[4-(\{1,3-dihydroxy-1-[3-methoxy-4-(sulfooxy)phenyl]propan-2-yl\}oxy)-3-methoxyphenyl]prop-2-enoic acid
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Accession:CHEBI:91205 term browser browse the term
Definition:A guaiacyl lignin that is ferulic acid in which the phenolic hydrogen is replaced by a sulfoguaiacylglycerol group. It is found in Arabidopsis thaliana.
Synonyms:related_synonym: Formula=C20H22O11S;   G(8-O-4)FA Sulfate;   InChI=1S/C20H22O11S/c1-28-16-9-12(4-8-19(22)23)3-6-14(16)30-18(11-21)20(24)13-5-7-15(17(10-13)29-2)31-32(25,26)27/h3-10,18,20-21,24H,11H2,1-2H3,(H,22,23)(H,25,26,27)/b8-4+;   InChIKey=KDEUQTJCZQGNJS-XBXARRHUSA-N;   SMILES=C=1C(=C(C=CC1/C=C/C(O)=O)OC(CO)C(O)C=2C=C(C(=CC2)OS(O)(=O)=O)OC)OC


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      chemical role 19250
        antioxidant 14211
          ferulic acid 911
            (2E)-3-[4-(\{1,3-dihydroxy-1-[3-methoxy-4-(sulfooxy)phenyl]propan-2-yl\}oxy)-3-methoxyphenyl]prop-2-enoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        monocarboxylic acid 17407
                                          alpha,beta-unsaturated monocarboxylic acid 11359
                                            cinnamic acids 2375
                                              hydroxycinnamic acid 1252
                                                monohydroxycinnamic acid 917
                                                  ferulic acids 911
                                                    ferulic acid 911
                                                      (2E)-3-[4-(\{1,3-dihydroxy-1-[3-methoxy-4-(sulfooxy)phenyl]propan-2-yl\}oxy)-3-methoxyphenyl]prop-2-enoic acid 0
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