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. 2023 Feb 11;17:439–457. doi: 10.2147/DDDT.S388932

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