Mrv1652306242117183D 47 47 0 0 0 0 999 V2000 -1.9692 -0.5196 -2.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -0.9611 -0.9757 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7540 0.1120 0.0514 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4636 0.8789 0.1265 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6051 2.3063 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6231 2.7579 -0.6149 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 3.2271 0.1579 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8349 4.0403 1.2397 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 2.5384 0.3844 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4833 2.2330 -0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4685 3.0623 -1.8761 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 1.0314 -1.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7604 0.3375 -0.0363 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2553 0.4079 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3505 -1.1106 -0.0420 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6040 -1.4314 1.2170 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3050 -2.1784 0.8868 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6790 -3.5418 0.8256 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 -2.0484 2.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8865 -2.3587 1.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -2.8365 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2478 -3.8942 0.8044 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3378 -2.2094 -0.5485 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -0.8758 -3.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 -0.8555 -2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0368 0.5913 -2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8581 -1.0117 -1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0988 -0.2543 1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5394 0.8768 -0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0895 0.7518 1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 0.4150 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3508 3.8609 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 4.9211 1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 3.2298 0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 1.6153 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 0.8305 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5046 -0.2387 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5029 1.4564 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7851 0.0625 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6824 -1.2983 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2349 -1.7995 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 -0.5313 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2152 -2.0922 1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0896 -1.8649 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 -3.7020 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 -1.6937 3.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 -2.2362 2.7972 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 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 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 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 6 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 7 32 1 6 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 13 36 1 1 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 6 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 M END > NP0015307 > 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(=O)[C@@]([H])(O[H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H] > InChI=1S/C16H24O7/c1-10-3-5-12(17)6-8-15(20)22-11(2)4-7-13(18)14(19)9-16(21)23-10/h6,8,10-12,14,17,19H,3-5,7,9H2,1-2H3/b8-6-/t10-,11-,12-,14+/m1/s1 > QERMLGGCVHACEI-CRNARURDSA-N > C16H24O7 > 328.361 > 328.152203113 > 5 > 47 > 32.94492016575042 > 1 > 2 > 0 > 1 > (4S,8R,11Z,13R,16R)-4,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,5,10-trione > 0.35 > 0.9056342206666677 > -1.90 > 0 > 1 > 0 > 14.836083964480945 > 13.132452567605942 > -2.8735890051723993 > 110.13000000000001 > 81.6482 > 0 > 1 > 4.14e+00 g/l > (4S,8R,11Z,13R,16R)-4,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,5,10-trione > 0 > NP0015307 > Ficiolide D $$$$