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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:(+)-dehydrodiconiferyl alcohol
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Accession:CHEBI:143256 term browser browse the term
Definition:A dehydrodiconiferyl alcohol that has (2S,3R)-configuration. A natural product isolated from several plant species including Allium sativum and Codonopsis pilosula.
Synonyms:exact_synonym: 4-{(2S,3R)-3-(hydroxymethyl)-5-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2-methoxyphenol
 related_synonym: (+)-DCA;   (2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enol;   (2S)-2alpha-[4-hydroxy-3-methoxyphenyl]-2,3-dihydro-5-[(E)-3-hydroxy-1-propenyl]-7-methoxybenzofuran-3beta-methanol;   (2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxy-1-propenyl]-3-hydroxymethyl-7-methoxybenzo[b]furan;   (2S,3R)-2-(3-methoxy-4-hydroxyphenyl)-5-[(1E)-3-hydroxy-1-propenyl]-7-methoxy-2,3-dihydrobenzofuran-3-methanol;   (2S,3R)-dehydrodiconiferyl alcohol;   (2S,3R)-glycosmisic alcohol;   (7S,8R)-dehydrodiconiferyl alcohol;   5-O-methylhierochin D;   Formula=C20H22O6;   InChI=1S/C20H22O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-6,8-10,15,19,21-23H,7,11H2,1-2H3/b4-3+/t15-,19+/m0/s1;   InChIKey=KUSXBOZNRPQEON-LNFBDUAVSA-N;   SMILES=C=12O[C@@H]([C@H](C1C=C(C=C2OC)/C=C/CO)CO)C3=CC(=C(C=C3)O)OC
 xref: AGR:IND606116754;   CAS:97465-82-2;   MetaCyc:CPD-18961;   PMID:10066819;   PMID:18068371;   PMID:23448127;   PMID:26271597;   PMID:26362985;   PMID:29860746
 cyclic_relationship: is_enantiomer_of CHEBI:70467


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  CHEBI ontology 19811
    role 19818
      chemical role 19422
        antioxidant 16120
          (+)-dehydrodiconiferyl alcohol 0
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                carbocyclic compound 18563
                                  benzenoid aromatic compound 17970
                                    benzenes 17830
                                      methoxybenzenes 2048
                                        monomethoxybenzene 1851
                                          guaiacols 1387
                                            coniferol 7
                                              guaiacyl lignin 0
                                                dehydrodiconiferyl alcohol 0
                                                  (+)-dehydrodiconiferyl alcohol 0
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