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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:buddlenol C
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Accession:CHEBI:86635 term browser browse the term
Definition:A guaiacyl lignin that is syringaresinol in which one of the phenolic hydrogens is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana.
Synonyms:exact_synonym: 2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
 related_synonym: Formula=C32H38O12;   G(8-O-4)S(8-8)S;   InChI=1S/C32H38O12/c1-37-22-8-16(6-7-21(22)34)28(35)27(13-33)44-32-25(40-4)11-18(12-26(32)41-5)31-20-15-42-30(19(20)14-43-31)17-9-23(38-2)29(36)24(10-17)39-3/h6-12,19-20,27-28,30-31,33-36H,13-15H2,1-5H3;   InChIKey=FITCDKVKQIBVRK-UHFFFAOYSA-N;   SMILES=C1OC(C2COC(C12)C3=CC(=C(C(=C3)OC)O)OC)C4=CC(=C(C(=C4)OC)OC(C(C=5C=C(C(=CC5)O)OC)O)CO)OC;   guaiacylglycerol beta-syringaresinol ether
 alt_id: CHEBI:91199
 xref: CAS:97465-73-1;   KNApSAcK:C00038659;   PMID:21837972;   PMID:25457500;   Reaxys:6554468



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20056
    role 20008
      biological role 20007
        osmolyte 2067
          glycerol 1786
            guaiacylglycerol 0
              buddlenol C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic molecule 19822
                              organic cyclic compound 19575
                                carbocyclic compound 18521
                                  benzenoid aromatic compound 17760
                                    benzenes 17560
                                      methoxybenzenes 1908
                                        monomethoxybenzene 1762
                                          guaiacols 1369
                                            coniferol 0
                                              guaiacyl lignin 0
                                                buddlenol C 0
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