Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EKZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
2 InChIKey InChI 1.03 XESZUVZBAMCAEJ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Oc1ccc(cc1O)C(C)(C)C
4 SMILES CACTVS 3.370 CC(C)(C)c1ccc(O)c(O)c1
5 SMILES OpenEye OEToolkits 1.7.6 CC(C)(C)c1ccc(c(c1)O)O
6 Canonical SMILES CACTVS 3.370 CC(C)(C)c1ccc(O)c(O)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)(C)c1ccc(c(c1)O)O