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Molecule : WPL

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C8H14O5/c1-4-2-8(13,7(11)12)3-5(9)6(4)10/h4-6,9-10,13H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,8-/m0/s1
2	InChIKey	InChI	1.03	NMVUNDOHFYILSF-FJDLHZNMSA-N
3	SMILES	CACTVS	3.385	C[CH]1C[C](O)(C[CH](O)[CH]1O)C(O)=O
4	SMILES	OpenEye OEToolkits	2.0.6	CC1CC(CC(C1O)O)(C(=O)O)O
5	Canonical SMILES	CACTVS	3.385	C[C@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O