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Molecule : 8WQ

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C7H9NO6/c9-2-1-8-4(6(11)12)3(2)5(10)7(13)14/h2-4,8-9H,1H2,(H,11,12)(H,13,14)/t2-,3-,4-/m0/s1
2	InChIKey	InChI	1.03	XAWWSRPWEJXFEU-HZLVTQRSSA-N
3	SMILES	CACTVS	3.385	O[CH]1CN[CH]([CH]1C(=O)C(O)=O)C(O)=O
4	SMILES	OpenEye OEToolkits	2.0.6	C1C(C(C(N1)C(=O)O)C(=O)C(=O)O)O
5	Canonical SMILES	CACTVS	3.385	O[C@H]1CN[C@@H]([C@H]1C(=O)C(O)=O)C(O)=O
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O