Mrv1652309062209522D 12 12 0 0 1 0 999 V2000 1.2822 4.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 3.1768 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4572 3.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 3.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 7 12 1 0 0 0 0 M END > NP0228277 > NP-MRD > CS(=O)(=O)CC[C@H]1CCC(=O)O1 > InChI=1S/C7H12O4S/c1-12(9,10)5-4-6-2-3-7(8)11-6/h6H,2-5H2,1H3/t6-/m1/s1 > JFRLEINDXGJNJV-ZCFIWIBFSA-N > C7H12O4S > 192.23 > 192.04563004 > 3 > 24 > 18.59783483463189 > 1 > 0 > 0 > 0 > (5R)-5-(2-methanesulfonylethyl)oxolan-2-one > -1.0510293543333333 > 0 > 1 > 0 > -7.042637134296048 > 60.44 > 43.32470000000001 > 3 > 1 > (5R)-5-(2-methanesulfonylethyl)oxolan-2-one > 0 > NP0228277 > (5r)-5-(2-methanesulfonylethyl)oxolan-2-one $$$$