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 : OX3

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+
2	InChIKey	InChI	1.03	YWZBYSBZDQWXGQ-XNTDXEJSSA-N
3	SMILES	ACDLabs	10.04	O=C(O\N=C\c1ccc(O)cc1)C2CCCCC2
4	SMILES	CACTVS	3.341	Oc1ccc(cc1)C=NOC(=O)C2CCCCC2
5	SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C=NOC(=O)C2CCCCC2)O
6	Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1)\C=N\OC(=O)C2CCCCC2
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C=NOC(=O)C2CCCCC2)O