Mrv1652309062205502D 13 12 0 0 1 0 999 V2000 4.9500 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 3.5724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1250 2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 3.5724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4750 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 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 6 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 3 0 0 0 0 8 9 1 0 0 0 0 9 10 3 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 M END > NP0225198 > NP-MRD > OC[C@H](O)[C@H](O)C#CC#C\C=C\Cl > InChI=1S/C9H9ClO3/c10-6-4-2-1-3-5-8(12)9(13)7-11/h4,6,8-9,11-13H,7H2/b6-4+/t8-,9+/m1/s1 > ZKPPRIKIQSRGPP-OGSWXMBVSA-N > C9H9ClO3 > 200.62 > 200.0240218 > 3 > 22 > 20.238482941092393 > 1 > 3 > 0 > 1 > (2S,3R,8E)-9-chloronon-8-en-4,6-diyne-1,2,3-triol > 0.21688838700000002 > 0 > 0 > 0 > 13.919591826951752 > 12.257087237581915 > -2.986809059035755 > 60.69 > 51.27740000000001 > 5 > 1 > (2S,3R,8E)-9-chloronon-8-en-4,6-diyne-1,2,3-triol > 0 > NP0225198 > (2s,3r,8e)-9-chloronon-8-en-4,6-diyne-1,2,3-triol $$$$