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Molecule : KDB

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C8H12O6/c9-4-5(10)6-2-1-3-8(13,14-6)7(11)12/h1,3,5-6,9-10,13H,2,4H2,(H,11,12)/t5-,6+,8-/m1/s1
2	InChIKey	InChI	1.03	ITFIFEKDEVIBCW-GKROBHDKSA-N
3	SMILES	ACDLabs	12.01	OC1(C(=O)O)C=CCC(C(CO)O)O1
4	SMILES	CACTVS	3.385	OC[CH](O)[CH]1CC=C[C](O)(O1)C(O)=O
5	SMILES	OpenEye OEToolkits	2.0.7	C1C=CC(OC1C(CO)O)(C(=O)O)O
6	Canonical SMILES	CACTVS	3.385	OC[C@@H](O)[C@@H]1CC=C[C@@](O)(O1)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O