Mrv1652304282218462D 14 16 0 0 1 0 999 V2000 3.4065 -0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 -0.0103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9345 0.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1559 0.2553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0025 -0.5554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6278 -1.0935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3093 -1.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 -1.7867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2975 -0.9838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6721 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9907 0.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5925 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -2.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3386 0.2622 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 1 0 0 0 9 12 1 6 0 0 0 8 13 1 1 0 0 0 2 14 1 6 0 0 0 M END > NP0071388 > NP-MRD > O[C@@H]1C[C@@H]2C[C@@H](Cl)O[C@@H]3OC[C@@]1(O)[C@H]23 > InChI=1S/C9H13ClO4/c10-6-2-4-1-5(11)9(12)3-13-8(14-6)7(4)9/h4-8,11-12H,1-3H2/t4-,5-,6+,7-,8+,9+/m1/s1 > XNCBYWDPTVQQQZ-ZLSXHNQQSA-N > C9H13ClO4 > 220.65 > 220.0502366 > 4 > 27 > 20.21361399607571 > 1 > 2 > 0 > 1 > (1S,4S,5R,7R,9R,11S)-9-chloro-2,10-dioxatricyclo[5.3.1.0^{4,11}]undecane-4,5-diol > -0.28 > -0.07516450933333335 > -0.10 > 0 > 3 > 0 > 14.71830913523835 > 12.693388679003942 > -3.278211032050648 > 58.92 > 48.078500000000005 > 0 > 1 > 1.73e+02 g/l > (1S,4S,5R,7R,9R,11S)-9-chloro-2,10-dioxatricyclo[5.3.1.0^{4,11}]undecane-4,5-diol > 0 > NP0071388 > (+)-Kankanol $$$$