Mrv1652306242119513D 45 45 0 0 0 0 999 V2000 5.4312 -0.0830 1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 -0.3883 0.1176 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3371 0.3101 0.0611 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7165 -0.0860 -1.2679 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3804 0.4918 -1.4935 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2895 0.1074 -0.5006 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8168 0.8068 -0.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6186 1.8082 -0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 3.0314 -0.7359 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0395 1.5187 -0.2151 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8226 2.8423 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0431 0.7500 1.0599 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7472 0.7159 1.5744 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8102 -0.4693 1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5144 -1.5524 0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 -1.6480 -0.4208 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0539 -1.9571 0.1587 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1202 -1.3938 -0.6277 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2467 -1.9930 -0.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2966 0.9880 1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 -0.7724 2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5152 -0.3072 1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2557 -0.1197 -0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -1.4893 0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5076 1.4132 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6861 0.0470 0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 0.4271 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8474 -1.1576 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5012 1.6153 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 0.2375 -2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7044 0.2964 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6114 1.0432 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2389 3.5636 0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0602 3.2805 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7673 2.5474 0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5324 1.4600 1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7737 0.1468 2.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7181 -0.5346 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1794 -2.4403 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3005 -0.8882 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 -2.5703 -1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8515 -3.0848 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 -1.8022 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0235 -1.7384 -1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -2.9727 -0.2251 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 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 6 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 1 0 0 0 10 32 1 6 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 1 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 6 0 0 0 19 45 1 0 0 0 0 M END > NP0013980 > NP-MRD > [H]O[C@]1([H])\C([H])=C([H])/C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(OC(=O)[C@]1([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C15H26O4/c1-3-4-5-10-14-13(17)9-7-6-8-12(16)11(2)15(18)19-14/h6,8,11-14,16-17H,3-5,7,9-10H2,1-2H3/b8-6-/t11-,12-,13+,14-/m1/s1 > KLJUONGZMIGRSR-JOROPEEXSA-N > C15H26O4 > 270.369 > 270.183109317 > 3 > 45 > 30.637368975334475 > 1 > 2 > 0 > 1 > (3R,4R,9S,10R)-4,9-dihydroxy-3-methyl-10-pentyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one > 2.31 > 2.676455453 > -2.21 > 0 > 1 > 0 > 14.563196997480844 > 13.943843137526631 > -3.087345912288579 > 66.76 > 74.473 > 4 > 1 > 1.65e+00 g/l > (3R,4R,9S,10R)-4,9-dihydroxy-3-methyl-10-pentyl-3,4,7,8,9,10-hexahydrooxecin-2-one > 0 > NP0013980 > Cytospolide D $$$$