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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:quadrangularin A
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Accession:CHEBI:76192 term browser browse the term
Definition:An indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.
Synonyms:exact_synonym: (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
 related_synonym: Formula=C28H22O6;   InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9-/t26-,27+/m1/s1;   InChIKey=BIQMSWPBPAKGSE-PBSLAQMISA-N;   SMILES=Oc1ccc(\\C=C2/[C@H]([C@@H](c3c2cc(O)cc3O)c2ccc(O)cc2)c2cc(O)cc(O)c2)cc1
 xref: PMID:17051632;   PMID:17382336;   PMID:17497424;   PMID:21510709;   PMID:23566915;   Reaxys:8370734;   Wikipedia:Quadrangularin_A


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  CHEBI ontology 20862
    role 20820
      chemical role 20396
        antioxidant 16464
          quadrangularin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    p-block element atom 20781
                      carbon group element atom 20715
                        carbon atom 20710
                          organic molecular entity 20710
                            organic molecule 20654
                              organic cyclic compound 20404
                                organic aromatic compound 20237
                                  phenols 19435
                                    benzenediols 9223
                                      resorcinols 7423
                                        resveratrol 6463
                                          quadrangularin A 0
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