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ONTOLOGY REPORT - ANNOTATIONS


Term:Theaflavin 3,3'-digallate
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Accession:CHEBI:136608 term browser browse the term
Synonyms:exact_synonym: (3,4,5-Trihydroxy-6-oxo-6H-benzo[7]annulene-1,8-diyl)bis[(2R,3R)-5,7-dihydroxy-3,4-dihydro-2H-chromene-2,3-diyl] bis(3,4,5-trihydroxybenzoate)
 related_synonym: Formula=C43H32O20;   InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34-,40-,41-/m1/s1;   InChIKey=ZEASWHWETFMWCV-ISBUVJFSSA-N;   SMILES=O1[C@@H]([C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)CC=3C1=CC(O)=CC3O)C=4C5=CC([C@H]6OC=7C(C[C@H]6OC(=O)C8=CC(O)=C(O)C(O)=C8)=C(O)C=C(O)C7)=CC(=O)C(O)=C5C(O)=C(O)C4
 xref: Chemspider:410681


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Term Annotations click to browse term
  CHEBI ontology 23785
    chemical entity 23748
      molecular entity 23696
        polyatomic entity 23607
          heteroatomic molecular entity 23178
            hydroxides 21982
              organic hydroxy compound 20340
                hydroxyflavan 3080
                  catechin 3064
                    Theaflavin 3,3'-digallate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23785
    subatomic particle 23736
      composite particle 23736
        hadron 23736
          baryon 23736
            nucleon 23736
              atomic nucleus 23736
                atom 23736
                  main group element atom 23555
                    p-block element atom 23555
                      carbon group element atom 23269
                        carbon atom 23223
                          organic molecular entity 23223
                            organic molecule 23086
                              organic cyclic compound 22094
                                organic heterocyclic compound 20732
                                  oxacycle 18974
                                    benzopyran 9916
                                      1-benzopyran 9595
                                        flavonoid 6702
                                          flavans 3213
                                            hydroxyflavan 3080
                                              catechin 3064
                                                Theaflavin 3,3'-digallate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.