Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : TE8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1
2 InChIKey InChI 1.03 FUPGQEMJIGUBGO-LLVKDONJSA-N
3 SMILES CACTVS 3.385 C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O
4 SMILES OpenEye OEToolkits 2.0.7 CC(C(=O)O)Oc1ccc(cc1)c2ccccc2
5 Canonical SMILES CACTVS 3.385 C[C@@H](Oc1ccc(cc1)c2ccccc2)C(O)=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2