Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EGT    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
2 InChIKey InChI 1.03 XMOCLSLCDHWDHP-IUODEOHRSA-N
3 SMILES ACDLabs 10.04 Oc1cc(cc(O)c1O)C3Oc2cc(O)cc(O)c2CC3O
4 SMILES CACTVS 3.341 O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3cc(O)c(O)c(O)c3
5 SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)O
6 Canonical SMILES CACTVS 3.341 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O