| PDB CCD ID: | 9AR |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C17 H11 N O8 |
| InChI: | InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21) |
| InChIKey: | UCLGCTLOEZZSLA-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O | | CACTVS 3.341 | COc1c(O)ccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O | | ACDLabs 10.04 | [O-][N+](=O)c1cc4c(c2c1c(C(=O)O)cc3OCOc23)ccc(O)c4OC |
|
| Name: | 9-HYDROXY ARISTOLOCHIC ACID;
9-HYDROXY-8-METHOXY-6-NITRO-PHENANTHROL[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID |
| ChEMBL: | CHEMBL600828 |
| DrugBank: | DB02636 |
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