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 : E9P

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3
2	InChIKey	InChI	1.03	XZOPHRPAUNJURP-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O(c1ccccc1)c2ccc(cc2O)CC
4	SMILES	CACTVS	3.385	CCc1ccc(Oc2ccccc2)c(O)c1
5	SMILES	OpenEye OEToolkits	1.9.2	CCc1ccc(c(c1)O)Oc2ccccc2
6	Canonical SMILES	CACTVS	3.385	CCc1ccc(Oc2ccccc2)c(O)c1
7	Canonical SMILES	OpenEye OEToolkits	1.9.2	CCc1ccc(c(c1)O)Oc2ccccc2