Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : KMP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
2 InChIKey InChI 1.03 IYRMWMYZSQPJKC-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C1c3c(OC(=C1O)c2ccc(O)cc2)cc(O)cc3O
4 SMILES CACTVS 3.341 Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
5 SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
6 Canonical SMILES CACTVS 3.341 Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O