3057042 -OEChem-03292411082D 31 32 0 1 0 0 0 0 0999 V2000 3.7147 -1.9545 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 -1.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 -2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -2.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6806 -1.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 -0.0226 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2369 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 0.9433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3420 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -0.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3415 2.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 2.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 1.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -0.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -1.1886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 0.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 0.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 0.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 1.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -0.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0759 -0.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 2.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 3.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 2.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 2.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 2.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0712 1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 -2.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 3 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 1 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 M END > 3057042 > 1 > 404 > 4 > 1 > 2 > AAADceBwOABAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgQACAAADwSEwACCAAAAAIIIAIAQAHBAAAAAAAAAAAEAAAAAABIAAAAAAAAAAAAAAAEIiMCPgAAAAAAAAACAAAAAAAAAAQAACAAAAA== > [(4S)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid > [(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid > [(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid > [(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid > [(4S)-7,7-dimethyl-2-oxidanylidene-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid > [(4S)-2-keto-7,7-dimethyl-norbornan-1-yl]methanesulfonic acid > InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10?/m0/s1 > MIOPJNTWMNEORI-BYDSUWOYSA-N > 0.5 > 232.07693016 > C10H16O4S > 232.30 > CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C > CC1([C@H]2CCC1(C(=O)C2)CS(=O)(=O)O)C > 79.8 > 232.07693016 > 0 > 15 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 6 13 3 8 16 5 $$$$