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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:(2S,3R)-glycosmisic acid
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Accession:CHEBI:132257 term browser browse the term
Definition:A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid.
Synonyms:exact_synonym: (2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
 related_synonym: (+)-DCA C;   (+)-dehydrodiconiferyl acid;   Formula=C20H20O7;   InChI=1S/C20H20O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-9,14,19,21-22H,10H2,1-2H3,(H,23,24)/b6-3+/t14-,19+/m0/s1;   InChIKey=FHYQIQMSODIFCP-ZMOFONSMSA-N;   SMILES=C1=C(C=C2C(=C1OC)O[C@@H]([C@H]2CO)C3=CC=C(C(=C3)OC)O)/C=C/C(O)=O;   ent-glycosmisic acid;   ent-spicatolignan B
 xref: MetaCyc:CPD-18963;   PMID:26362985;   Reaxys:7663833
 cyclic_relationship: is_conjugate_acid_of CHEBI:131937;   is_enantiomer_of CHEBI:132245


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      chemical role 19460
        antioxidant 16146
          ferulic acid 987
            (2S,3R)-glycosmisic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            heteroorganic entity 19495
                              organochalcogen compound 19257
                                organooxygen compound 19175
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      monocarboxylic acid 18006
                                        alpha,beta-unsaturated monocarboxylic acid 13457
                                          cinnamic acids 2512
                                            hydroxycinnamic acid 1365
                                              monohydroxycinnamic acid 1023
                                                ferulic acids 987
                                                  ferulic acid 987
                                                    glycosmisic acid 0
                                                      (2S,3R)-glycosmisic acid 0
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