Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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:(2R,3S)-glycosmisic acid
go back to main search page
Accession:CHEBI:132245 term browser browse the term
Definition:A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid. It is isolated from several plants including spearmint.
Synonyms:exact_synonym: (2E)-3-[(2R,3S)-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+/m1/s1;   InChIKey=FHYQIQMSODIFCP-WARYXCEBSA-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;   spicatolignan B
 xref: CBA:368656;   KNApSAcK:C00039281;   MetaCyc:CPD-17077;   PMID:17701560;   PMID:26362985;   Reaxys:22023630
 cyclic_relationship: is_conjugate_acid_of CHEBI:131932;   is_enantiomer_of CHEBI:132257



show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      chemical role 19445
        antioxidant 16032
          ferulic acid 981
            (2R,3S)-glycosmisic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic group 18947
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18879
                                    carbonyl compound 18879
                                      carboxylic acid 18605
                                        monocarboxylic acid 17948
                                          alpha,beta-unsaturated monocarboxylic acid 13242
                                            cinnamic acids 2506
                                              hydroxycinnamic acid 1360
                                                monohydroxycinnamic acid 1017
                                                  ferulic acids 981
                                                    ferulic acid 981
                                                      glycosmisic acid 0
                                                        (2R,3S)-glycosmisic acid 0
paths to the root