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CHEBI:75211 - tannic acid
| Formula | C76H52O46 |
| Net Charge | 0 |
| Average Mass | 1701.206 |
| Monoisotopic Mass | 1700.17297 |
| SMILES | O=C(OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 |
| InChI | InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76?/m1/s1 |
| InChIKey | LRBQNJMCXXYXIU-YIILYMKVSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tannic acid (CHEBI:75211) has functional parent gallic acid (CHEBI:30778) |
| tannic acid (CHEBI:75211) has role carcinogenic agent (CHEBI:50903) |
| tannic acid (CHEBI:75211) has role geroprotector (CHEBI:176497) |
| tannic acid (CHEBI:75211) has role metabolite (CHEBI:25212) |
| tannic acid (CHEBI:75211) is a D-glucoside (CHEBI:35436) |
| tannic acid (CHEBI:75211) is a gallotannin (CHEBI:24182) |
| tannic acid (CHEBI:75211) is a monosaccharide derivative (CHEBI:63367) |
| IUPAC Name |
|---|
| 1,2,3,4,6-pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranose |
| Manual Xrefs | Databases |
|---|---|
| C13452 | KEGG COMPOUND |
| D01959 | KEGG DRUG |
| Tannic_acid | Wikipedia |
| HMDB0258711 | HMDB |
| CPD-17778 | MetaCyc |
| DB09372 | DrugBank |
| FDB001111 | FooDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8186386 | Reaxys |
| CAS:1401-55-4 | ChemIDplus |
| Citations |
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