| PDB CCD ID: | NHC |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C10 H14 O5 |
| InChI: | InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10- |
| InChIKey: | NMTNUQBORQILRK-XCVPVQRUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC1(C2CCC(C1(C)C(=O)O)O2)C(=O)O | | ACDLabs 10.04 | O=C(O)C1(C(C(=O)O)(C)C2OC1CC2)C | | OpenEye OEToolkits 1.5.0 | C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O | | CACTVS 3.341 | C[C]1([CH]2CC[CH](O2)[C]1(C)C(O)=O)C(O)=O | | CACTVS 3.341 | C[C@]1([C@H]2CC[C@H](O2)[C@]1(C)C(O)=O)C(O)=O |
|
| Name: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;
Cantharidic acid |
| ChEMBL: | CHEMBL1234720 |
| ZINC: | ZINC000013783286 |
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