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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:1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
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Accession:CHEBI:18082 term browser browse the term
Definition:A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions.
Synonyms:exact_synonym: 1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
 related_synonym: 1,2,3,4,6-Pgg;   1,2,3,4,6-penta-O-galloyl-beta-D-glucopyranose;   1,2,3,4,6-penta-O-galloyl-beta-D-glucopyranoside;   1,2,3,4,6-penta-O-galloyl-beta-D-glucose;   1,2,3,4,6-penta-O-galloyl-beta-D-glucoside;   1,2,3,4,6-pentagalloyl-beta-D-glucopyranose;   1,2,3,4,6-pentagalloyl-beta-D-glucopyranoside;   1,2,3,4,6-pentagalloyl-beta-D-glucose;   Formula=C41H32O26;   InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1;   InChIKey=QJYNZEYHSMRWBK-NIKIMHBISA-N;   Pentagalloyl-beta-D-glucose;   Pentagalloylglucose;   SMILES=Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1;   beta-1,2,3,4,6-pentagalloylglucose;   beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate);   penta-O-galloyl-beta-D-glucopyranose;   penta-O-galloyl-beta-D-glucose
 alt_id: CHEBI:11132;   CHEBI:18854;   CHEBI:477
 xref: Beilstein:79674;   CAS:14937-32-7;   Chemspider:58735;   KEGG:C04576;   KNApSAcK:C00002933
 xref_mesh: MESH:C013185
 xref: MetaCyc:12346-PENTAKIS-O-GALLOYL-BETA-D-GLUC;   PMID:14609132;   PMID:15105050;   PMID:16253226;   PMID:17015965;   PMID:17141590;   PMID:18386256;   PMID:18622905;   PMID:19374853;   PMID:19457098;   PMID:19576177;   PMID:20369791;   PMID:20606300;   PMID:21085110;   PMID:21173176;   PMID:24404334;   PMID:29472861;   PMID:30760754;   PMID:32957961
 cyclic_relationship: is_conjugate_acid_of CHEBI:145902



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  CHEBI ontology 19918
    role 19894
      application 19729
        anti-inflammatory agent 16531
          1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose 0
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  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
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                      carbon group element atom 19811
                        carbon atom 19806
                          organic molecular entity 19806
                            heteroorganic entity 19548
                              organochalcogen compound 19303
                                organooxygen compound 19217
                                  carbohydrates and carbohydrate derivatives 15307
                                    carbohydrate 15307
                                      monosaccharide 4809
                                        aldose 3223
                                          aldohexose 2872
                                            glucose 2828
                                              D-glucose 2826
                                                D-glucopyranose 1809
                                                  beta-D-glucose 1661
                                                    beta-D-glucoside 1467
                                                      galloyl beta-D-glucose 0
                                                        1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose 0
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