Mrv1652306242117183D 46 46 0 0 0 0 999 V2000 3.0516 1.7843 -0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7486 0.5241 -0.1778 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3337 -0.5435 -1.1717 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9860 -1.8419 -0.4545 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5776 -1.8441 0.0705 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6679 -1.5931 1.4609 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -3.1457 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -3.4342 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 -2.5387 1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0149 -3.1080 2.7657 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 -1.1988 1.4069 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -0.5976 0.4967 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1891 -1.5065 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3384 0.6914 -0.0888 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3923 1.4643 0.8229 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4878 2.2519 -0.1280 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3752 2.8111 -1.0755 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 3.3113 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.0360 1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6269 1.6628 1.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7842 1.4885 3.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 0.6831 0.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 1.6393 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 2.6041 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2287 2.1666 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 0.1697 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1465 -0.7230 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -0.2093 -1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -2.7184 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7269 -1.9549 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -1.0652 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9358 -2.4559 1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 -3.8366 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 -4.4199 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 -0.3913 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -1.6386 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9993 -0.9767 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5024 -2.4761 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2135 1.3567 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 0.5470 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 2.2438 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8386 0.8295 1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0873 1.5137 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1179 3.2019 -0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 4.3443 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 3.8926 1.8506 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 26 1 1 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 6 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 12 35 1 1 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 6 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 M END > NP0015305 > NP-MRD > [H]O[C@@]1([H])\C([H])=C([H])/C(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/C(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H] > InChI=1S/C16H24O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7-14,17-18H,3-6H2,1-2H3/b9-7-,10-8-/t11-,12-,13-,14+/m1/s1 > RBQNDQOKFICJGL-MZYMSUDJSA-N > C16H24O6 > 312.362 > 312.157288493 > 4 > 46 > 31.86258430581741 > 1 > 2 > 0 > 1 > (3Z,5R,8R,11Z,13S,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione > 1.00 > 1.8003561626666662 > -2.31 > 0 > 1 > 0 > 15.130034387793447 > 14.527974385775114 > -2.8735890809954343 > 93.06000000000002 > 82.2774 > 0 > 1 > 1.52e+00 g/l > (3Z,5R,8R,11Z,13S,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione > 0 > NP0015305 > Ficiolide B $$$$