Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 5V4    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9-/m1/s1
2 InChIKey InChI 1.03 YKXXBEOXRPZVCC-RKDXNWHRSA-N
3 SMILES CACTVS 3.385 O[CH]1Cc2ccccc2[CH]1O
4 SMILES OpenEye OEToolkits 2.0.4 c1ccc2c(c1)CC(C2O)O
5 Canonical SMILES CACTVS 3.385 O[C@@H]1Cc2ccccc2[C@H]1O
6 Canonical SMILES OpenEye OEToolkits 2.0.4 c1ccc2c(c1)C[C@H]([C@@H]2O)O