Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 38U    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-5H,6H2,1H3,(H,12,13)
2 InChIKey InChI 1.03 RONBYWGSEXDEKC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)C2=C(c1ccccc1C2)C
4 SMILES CACTVS 3.385 CC1=C(Cc2ccccc12)C(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 CC1=C(Cc2c1cccc2)C(=O)O
6 Canonical SMILES CACTVS 3.385 CC1=C(Cc2ccccc12)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CC1=C(Cc2c1cccc2)C(=O)O