PDB CCD ID: | 4ML |
Number of entries in BioLiP: | 7 |
Chemical formula: | C7 H8 O4 |
InChI: | InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)/t7-/m1/s1 |
InChIKey: | FIKLRROSHXQNFN-SSDOTTSWSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | C[C]1(CC(O)=O)OC(=O)C=C1 | CACTVS 3.341 | C[C@@]1(CC(O)=O)OC(=O)C=C1 | OpenEye OEToolkits 1.5.0 | CC1(C=CC(=O)O1)CC(=O)O | OpenEye OEToolkits 1.5.0 | C[C@@]1(C=CC(=O)O1)CC(=O)O | ACDLabs 10.04 | O=C1OC(C=C1)(CC(=O)O)C |
|
Name: | [(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid; 4-methylmuconolactone |