Cochineal
| Chemical identification | |
|---|---|
| CAS identifier | 1343-78-8 |
| Pubchem identifier | 14950 |
| DSSTox identifier | DTXSID2045735 |
| IUPAC name | 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | OCC1OC(C(C(C1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O |
| InChI | InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34) |
| InChIKey | DGQLVPJVXFOQEV-UHFFFAOYSA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Anthracenes |
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