Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LVC    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
2 InChIKey InChI 1.03 FLZUYXUBDVKWPO-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(C)Cc1ccc(cc1)C(=O)O
4 SMILES CACTVS 3.385 CC(=O)Cc1ccc(cc1)C(O)=O
5 SMILES OpenEye OEToolkits 2.0.7 CC(=O)Cc1ccc(cc1)C(=O)O
6 Canonical SMILES CACTVS 3.385 CC(=O)Cc1ccc(cc1)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Cc1ccc(cc1)C(=O)O