Tannic acid
| Chemical identification | |
|---|---|
| Unique Identifier | RID00056 |
| CAS identifier | 1401-55-4 |
| PubChem identifier | 16129778 |
| DSSTox identifier | DTXSID2026076 |
| Molecular weight | 1701.206 g/mol |
| SMILES | O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)OC(=O)c2cc(O)c(c(c2)O)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O |
| 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 | InChIkey=LRBQNJMCXXYXIU-PPKXGCFTSA-N |
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Phenylpropanoids and polyketides |
| Class | Tannins |
| Regulatory Information |
|---|
| Reference | Country of Study | Regulatory Status | Regulating Country | Usage Status |
|---|---|---|---|---|
| PMID: 38659458 | China | No known regulations | Tested | |
| PMID: 26363229 | Spain | No known regulations | Tested |
| List Name | Category | Class |
|---|---|---|
| Organisation for Economic Co-operation and Development (OECD) High Production Volume (OECD HPV) | High Production Volume | High Production Volume |
| United States High Production Volume (USHPV) database | High Production Volume | High Production Volume |
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ReCAnt is a database of chemicals used in aquaculture and their ecotoxic effects, compiled from published literature. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on chemicals used in aquaculture is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.