| PDB CCD ID: | BSV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H14 O4 |
| InChI: | InChI=1S/C14H14O4/c1-8-2-3-10(9-4-5-9)6-11(8)12(15)7-13(16)14(17)18/h2-3,6-7,9,16H,4-5H2,1H3,(H,17,18)/b13-7- |
| InChIKey: | ATXCBLFFUXEDGX-QPEQYQDCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ccc(cc1C(=O)/C=C(O)/C(O)=O)C2CC2 | | CACTVS 3.385 | Cc1ccc(cc1C(=O)C=C(O)C(O)=O)C2CC2 | | ACDLabs 12.01 | C(/C(c1c(C)ccc(c1)C2CC2)=O)=C(\C(O)=O)O | | OpenEye OEToolkits 2.0.6 | Cc1ccc(cc1C(=O)C=C(C(=O)O)O)C2CC2 | | OpenEye OEToolkits 2.0.6 | Cc1ccc(cc1C(=O)/C=C(/C(=O)O)\O)C2CC2 |
|
| Name: | (2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid |
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