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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:1-(4-\{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy\}-3,5-dimethoxyphenyl)propane-1,2,3-triol
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Accession:CHEBI:91183 term browser browse the term
Definition:A guaiacyl lignin that is guaiacylglycerol in which the hydrogen on the 2-hydroxy function has been replaced by a 4-(1,2,3-trihydroxypropan-1-yl)-2,6-dimethoxyphenyl group.
Synonyms:related_synonym: Formula=C21H28O10;   G(8-O-4)S Glycerol;   InChI=1S/C21H28O10/c1-28-15-6-11(4-5-13(15)24)20(27)18(10-23)31-21-16(29-2)7-12(8-17(21)30-3)19(26)14(25)9-22/h4-8,14,18-20,22-27H,9-10H2,1-3H3;   InChIKey=NVVRMRVCLWOKDH-UHFFFAOYSA-N;   SMILES=C=1C(=C(C(=CC1C(C(CO)O)O)OC)OC(CO)C(O)C=2C=C(C(=CC2)O)OC)OC
 xref: PMID:25457500;   Reaxys:22346406


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Term Annotations click to browse term
  CHEBI ontology 26040
    role 25956
      biological role 25935
        osmolyte 3564
          glycerol 3293
            guaiacylglycerol 0
              1-(4-\{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy\}-3,5-dimethoxyphenyl)propane-1,2,3-triol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    p-block element atom 25840
                      carbon group element atom 25437
                        carbon atom 25395
                          organic molecular entity 25395
                            organic molecule 25223
                              organic cyclic compound 24277
                                carbocyclic compound 22044
                                  benzenoid aromatic compound 20106
                                    benzenes 19805
                                      methoxybenzenes 2198
                                        monomethoxybenzene 1994
                                          guaiacols 1531
                                            coniferol 7
                                              guaiacyl lignin 0
                                                1-(4-\{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy\}-3,5-dimethoxyphenyl)propane-1,2,3-triol 0
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