| PDB CCD ID: | I8Y |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C14 H9 N O6 S |
| InChI: | InChI=1S/C14H9NO6S/c15-11-9(22(19,20)21)5-8-10(14(11)18)13(17)7-4-2-1-3-6(7)12(8)16/h1-5,18H,15H2,(H,19,20,21) |
| InChIKey: | UJIPILVKRSZCAC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)N)S(=O)(=O)O | | ACDLabs 12.01 | O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1N | | CACTVS 3.385 | Nc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1[S](O)(=O)=O |
|
| Name: | 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid |
| ChEMBL: | CHEMBL5221494 |
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