Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : KMC

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
2	InChIKey	InChI	1.06	VCCRNZQBSJXYJD-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
4	SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
5	Canonical SMILES	CACTVS	3.385	Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O