Term: | 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose |
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Accession: | CHEBI:18082
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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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