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ONTOLOGY REPORT - ANNOTATIONS


Term:catiguanin B
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Accession:CHEBI:65602 term browser browse the term
Definition:An organic heterotetracyclic compound that is 3,4-dihydro-2H,12H-pyrano[2,3-a]xanthene substituted by a 3,4-dihydroxyphenyl group at position 2, hydroxy groups at positions 3, 5, 9 and 10 and a 2-methoxy-2-oxoethyl group at position 12 (the 2R,3R,12S stereoisomer). It is isolated from the barks of Trichilia catigua and exhibits antioxidant activity.
Synonyms:exact_synonym: methyl [(2R,3R,12S)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-3,4-dihydro-2H,12H-pyrano[2,3-a]xanthen-12-yl]acetate
 related_synonym: Formula=C25H22O10;   InChI=1S/C25H22O10/c1-33-22(32)7-12-11-5-17(29)18(30)9-20(11)34-21-8-15(27)13-6-19(31)24(35-25(13)23(12)21)10-2-3-14(26)16(28)4-10/h2-5,8-9,12,19,24,26-31H,6-7H2,1H3/t12-,19+,24+/m0/s1;   InChIKey=XECJBJHITROSPL-WSONZKGWSA-N;   SMILES=COC(=O)C[C@H]1c2cc(O)c(O)cc2Oc2cc(O)c3C[C@@H](O)[C@H](Oc3c12)c1ccc(O)c(O)c1
 xref: PMID:18020420 "Europe PMC";   Reaxys:15840655 "Reaxys"


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  CHEBI ontology 19748
    role 19695
      chemical role 19211
        antioxidant 14137
          catiguanin B 0
Path 2
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  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic molecule 19434
                              organic cyclic compound 19201
                                organic heterocyclic compound 18270
                                  oxacycle 17014
                                    benzopyran 9469
                                      1-benzopyran 9164
                                        flavonoid 6317
                                          extended flavonoid 944
                                            catiguanin B 0
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