Mrv1652306242119513D 55 55 0 0 0 0 999 V2000 6.7845 -1.1427 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 -0.1293 0.2106 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3972 -0.9051 0.0793 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2264 0.0595 -0.1896 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0158 -0.7898 -0.3014 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7231 -0.0621 -0.5865 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2499 -1.0192 -0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 -1.6326 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -2.3194 1.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 -1.5779 -0.5262 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6787 -1.3540 -2.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4848 -0.7243 0.3096 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7178 -1.4983 0.4597 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1295 -2.0768 1.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4065 -2.8402 1.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3988 -1.9425 2.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 0.5770 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1107 1.5602 -0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 1.4419 -0.4060 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9272 1.1882 0.8255 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5593 1.0567 0.3557 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7752 2.2835 -0.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 3.3013 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7476 4.5663 -0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 3.1587 1.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3763 -2.0752 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3054 -1.4477 -0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5702 -0.7327 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6335 0.5995 1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9005 0.3174 -0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4665 -1.6751 -0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2029 -1.3922 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 0.6668 -1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1325 0.6497 0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9096 -1.5075 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1747 -1.4585 -1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 0.3349 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -2.6670 -0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9922 -0.3245 -2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6453 -1.5754 -2.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3829 -2.0587 -2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0929 -0.7964 1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1307 -2.2722 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8067 -2.9491 2.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2365 -3.8169 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0006 0.8427 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 2.5421 -0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2201 0.9425 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 2.5118 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 2.1189 1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1291 0.3813 1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2066 1.0532 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 4.3816 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1942 5.3553 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 4.8725 -0.9873 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 21 6 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 6 0 0 0 10 38 1 6 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 1 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 1 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 M END > NP0013979 > NP-MRD > [H]\C1=C([H])\[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(C(=O)O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H] > InChI=1S/C19H30O6/c1-5-6-7-11-18-17(24-15(4)21)12-9-8-10-16(23-14(3)20)13(2)19(22)25-18/h8,10,13,16-18H,5-7,9,11-12H2,1-4H3/b10-8-/t13-,16-,17+,18-/m1/s1 > TXKKHPOCYZDCHH-RUCGLTTGSA-N > C19H30O6 > 354.443 > 354.204238686 > 3 > 55 > 39.60453577241849 > 1 > 0 > 0 > 1 > (3R,4R,9S,10R)-9-(acetyloxy)-3-methyl-2-oxo-10-pentyl-3,4,7,8,9,10-hexahydro-2H-oxecin-4-yl acetate > 3.75 > 3.5587062736666666 > -4.30 > 0 > 1 > 0 > -6.566564255960479 > 78.9 > 92.776 > 8 > 1 > 1.76e-02 g/l > (3R,4R,9S,10R)-9-(acetyloxy)-3-methyl-2-oxo-10-pentyl-3,4,7,8,9,10-hexahydrooxecin-4-yl acetate > 0 > NP0013979 > Cytospolide C $$$$