Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : QZP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
2 InChIKey InChI 1.03 VUBBCFWWSKOHTH-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c1c(CC(C)C)ccc(C(O)=O)c1
4 SMILES CACTVS 3.385 CC(C)Cc1ccc(cc1)C(O)=O
5 SMILES OpenEye OEToolkits 2.0.7 CC(C)Cc1ccc(cc1)C(=O)O
6 Canonical SMILES CACTVS 3.385 CC(C)Cc1ccc(cc1)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)Cc1ccc(cc1)C(=O)O