DAP000794 Wcorina 07020613003D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 49 52 0 1 0 0 0 0 0999 V2000 0.1173 0.0634 0.4763 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 2.5865 3.7557 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4387 1.0841 -0.7021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 -1.2984 0.5241 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6012 1.6119 2.4908 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7419 1.1692 1.1785 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3766 2.1249 2.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 1.3658 0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6218 2.0098 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 1.5284 3.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9084 0.5917 0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3893 1.1190 1.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2823 0.3318 3.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 -0.6001 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9354 2.6437 4.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 1.2120 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5786 1.1196 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2743 0.2527 4.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9938 -1.1675 -0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9284 2.5580 5.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2851 0.6394 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6779 0.1867 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5952 1.3634 5.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2150 -0.5503 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3629 -0.7065 -2.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 1.1730 -1.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 -0.6097 -3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 1.2697 -2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 0.3799 -3.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3347 2.9965 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 0.1016 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 1.5015 2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0319 -0.5362 3.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8872 -1.0828 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 3.5770 4.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 2.1414 1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1949 0.7371 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 2.1370 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7998 -0.6778 4.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9418 -2.0945 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1847 3.4250 5.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2398 1.1215 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3714 1.2990 6.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1153 -0.9961 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3709 -1.4796 -1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 1.8679 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7401 -1.3071 -4.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9817 2.0401 -2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 0.4556 -4.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 7 2 0 0 0 0 3 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 15 35 1 0 0 0 0 16 21 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 23 2 0 0 0 0 18 39 1 0 0 0 0 19 24 2 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END > 0 > 0 > 9525 > 6 > KEGG > C07317 > CAS: 57-96-5 ChEBI: 9342 NIKKAJI: J1.384F Same as: D00449 > 57-96-5 C07317 Sulfinpyrazone Sulfoxyphenylpyrazolidine > 57-96-5 > C07317 > http://www.genome.jp/kegg/ > http://www.genome.jp/dbget-bin/www_bget?cpd+C07317 > 5342 1 > 1 3 $$$$