Mrv1652306242107403D 36 36 0 0 0 0 999 V2000 4.1275 -0.4150 -0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 -0.4014 0.6851 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2581 0.3843 0.7618 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2257 -0.2357 -0.1545 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0358 0.4592 -0.1320 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4903 1.7956 -0.2539 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4113 2.4340 -1.4552 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9906 1.5977 0.1677 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5183 2.8876 0.2004 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7255 0.8098 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0451 -0.4473 -0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6757 -1.2915 0.4308 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5594 -2.2547 0.0666 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2596 -2.0882 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 -2.5118 1.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -1.5663 0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8226 -1.2839 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2516 -0.3570 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8273 0.5184 -1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3986 -1.4414 1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 0.0984 1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 0.2814 1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4285 1.4097 0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -0.3467 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 0.2063 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.1144 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0842 2.4720 0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3101 2.5068 -1.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 1.2235 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 3.4257 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0397 1.3736 -1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6118 -0.9017 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6392 -1.8561 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4714 -0.7495 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9844 -3.2905 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4464 -2.3311 -1.0581 H 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 4 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 6 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 1 0 0 0 7 28 1 0 0 0 0 8 29 1 1 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 M END > NP0010655 > NP-MRD > [H]O[C@@]1([H])\C([H])=C([H])/C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[C@@]1([H])O[H] > InChI=1S/C12H20O4/c1-2-5-9-8-11(14)10(13)6-3-4-7-12(15)16-9/h3,6,9-11,13-14H,2,4-5,7-8H2,1H3/b6-3-/t9-,10+,11-/m1/s1 > OGGQXAHFTKUSHF-MQZCMQEASA-N > C12H20O4 > 228.288 > 228.136159124 > 3 > 36 > 24.562453475228104 > 1 > 2 > 0 > 1 > (7S,8R,10R)-7,8-dihydroxy-10-propyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one > 0.70 > 1.0156303786666667 > -1.06 > 0 > 1 > 0 > 15.106831192781641 > 13.637315537197296 > -3.2071128661157937 > 66.76 > 60.806900000000006 > 2 > 1 > 1.98e+01 g/l > (7S,8R,10R)-7,8-dihydroxy-10-propyl-3,4,7,8,9,10-hexahydrooxecin-2-one > 0 > NP0010655 > (6S,7R,9R)-6,7-dihydroxy-9-propylnon-4-eno-9-lactone $$$$