Mrv1652306242119503D 47 48 0 0 0 0 999 V2000 7.2461 1.6143 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0182 1.3317 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 2.3524 -0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 0.1878 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1295 -0.1594 -0.5113 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0843 -0.3350 0.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 -0.6633 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -0.7990 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 -1.1322 0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -1.3377 -0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -1.6879 -0.7535 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8072 -2.8852 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8549 -4.0677 -0.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 -2.4151 1.2881 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2864 -3.1130 2.4546 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5185 -1.0309 1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9029 -0.2157 1.9732 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3065 -0.6748 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8238 0.3440 -0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7944 1.3153 -0.4199 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8684 0.9268 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2729 2.7360 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -1.1949 -1.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 -0.8684 -1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1622 1.3076 0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2439 2.7098 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1776 1.0680 1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 2.4592 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9841 3.3563 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 2.0629 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7232 -0.5291 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -1.1592 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 0.5329 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1771 -0.6499 2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 -1.2352 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4096 -1.8710 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -3.1891 2.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4224 0.4148 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4352 1.4647 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0897 -0.1557 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9026 1.3236 0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8481 1.4342 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3936 2.8084 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0831 3.4444 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8894 3.1016 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 -1.3508 -2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 -0.7535 -1.9850 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 2 4 2 3 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 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 1 0 0 0 0 20 22 1 0 0 0 0 10 23 1 0 0 0 0 23 24 2 0 0 0 0 24 7 1 0 0 0 0 18 11 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 11 36 1 6 0 0 0 15 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 6 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 M END > NP0013846 > NP-MRD > [H]ON1C(=O)\C(=C(\[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H] > InChI=1S/C19H23NO4/c1-12(2)9-10-24-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20(23)19(17)22/h5-9,11,13,17,23H,10H2,1-4H3/b16-11-/t17-/m1/s1 > CIBYRBNESSOEJP-WJDWOHSUSA-N > C19H23NO4 > 329.396 > 329.162708225 > 4 > 47 > 36.58790913159605 > 1 > 1 > 0 > 1 > (3R,4Z)-1-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropylidene)pyrrolidine-2,5-dione > 3.55 > 3.4532421920000003 > -4.43 > 0 > 2 > 0 > 7.27518018295519 > -4.855205480610594 > 66.84 > 93.49790000000002 > 5 > 1 > 1.22e-02 g/l > (3R,4Z)-1-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropylidene)pyrrolidine-2,5-dione > 0 > NP0013846 > Antrodin F $$$$