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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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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      chemical role 0
        antioxidant 0
          ferulic acid 0
            (2S,3R)-glycosmisic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        alpha,beta-unsaturated monocarboxylic acid 0
                                          cinnamic acids 0
                                            hydroxycinnamic acid 0
                                              monohydroxycinnamic acid 0
                                                ferulic acids 0
                                                  ferulic acid 0
                                                    glycosmisic acid 0
                                                      (2S,3R)-glycosmisic acid 0
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