Table 3.
Compounds in RCE for Network Analysis
| Name | PubChem CID | Canonical SMILES |
|---|---|---|
| Munjistin | 160,476 | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C(=O)O)O |
| 6-Hydroxyrubiadin | 5,319,801 | CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O |
| Alizarin | 6293 | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O |
| Purpurin | 6683 | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
| Ruberythric acid | 92,101 | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)O)O)O)O)O)O)O |
| Rubiadin | 124,062 | CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| Pseudopurpurin | 442,765 | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3O)C(=O)O)O)O |
| Physcion | 10,639 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC |
| Nordamnacanthal | 160,712 | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C=O)O |