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ONTOLOGY REPORT - ANNOTATIONS


Term:procyanidin B2 3-O-gallate
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Accession:CHEBI:75652 term browser browse the term
Definition:A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of procyanidin B2.
Synonyms:exact_synonym: (2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromen-3-yl 3,4,5-trihydroxybenzoate
 related_synonym: (-)-epicatechin-(4beta->8)-(-)-epicatechin-3-O-gallate;   Formula=C37H30O16;   InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2/t27-,31-,33-,34-,36-/m1/s1;   InChIKey=BXWABJPTCUDBMM-QOCBQNCISA-N;   SMILES=O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
 xref: PMID:17226517;   Reaxys:4903058


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  CHEBI ontology 19789
    role 19735
      biological role 19734
        biochemical role 19227
          metabolite 19202
            procyanidin B2 3-O-gallate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            organic group 18473
                              organic divalent group 18467
                                organodiyl group 18467
                                  carbonyl group 18366
                                    carbonyl compound 18366
                                      carboxylic acid 18038
                                        aromatic carboxylic acid 10881
                                          benzoic acids 10851
                                            benzoic acid 3815
                                              hydroxybenzoic acid 3206
                                                trihydroxybenzoic acid 2285
                                                  gallic acid 2266
                                                    gallate ester 2167
                                                      procyanidin B2 3-O-gallate 0
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