Mrv1652306242119543D 46 48 0 0 0 0 999 V2000 -5.7026 -1.3025 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2506 -0.8503 -0.3327 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1325 0.6180 -0.6569 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6966 1.0482 -0.5525 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1866 0.8166 0.8463 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7366 1.3016 0.8463 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0314 0.5371 -0.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3209 0.2597 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0348 0.8593 0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4377 0.7643 0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 1.2238 1.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4687 0.0468 -0.7665 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 0.0081 -1.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 -0.0424 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7847 -0.0699 -2.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3771 -0.0624 -0.0289 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 0.0202 -2.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 0.0855 -3.4295 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6475 -0.9292 -2.1670 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2383 -0.6288 -0.8535 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3428 1.4554 2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9716 2.2077 2.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0944 1.1104 2.2039 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1992 -0.3446 2.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 1.9295 3.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1246 -0.9036 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2561 -0.9061 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7009 -2.3952 -0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 -1.0051 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6326 -1.4395 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5639 0.8292 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6908 1.1925 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 0.4378 -1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5467 2.1060 -0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8017 1.2967 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -0.2861 1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 2.3665 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 -0.8360 0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8954 -0.0071 -3.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5437 -0.8474 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -1.9988 -2.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -1.5668 -0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7332 -0.6933 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3449 -1.0055 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 -0.5102 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3887 2.5328 2.7480 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 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 14 15 2 0 0 0 0 14 16 1 0 0 0 0 13 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 9 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 1 0 0 0 23 6 1 0 0 0 0 20 8 1 0 0 0 0 20 12 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 16 38 1 0 0 0 0 17 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 1 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M END > NP0014347 > NP-MRD > [H]OC(=O)C1=C([H])SC([H])([H])[C@@]2([H])N1C(=O)C1=C2O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@](O[H])(C1=O)C([H])([H])[H] > InChI=1S/C17H21NO6S/c1-3-4-5-6-11-17(2,23)14(19)12-13(24-11)9-7-25-8-10(16(21)22)18(9)15(12)20/h8-9,11,23H,3-7H2,1-2H3,(H,21,22)/t9-,11+,17+/m1/s1 > GLOXYNJNKIDEIR-NVTQBHAOSA-N > C17H21NO6S > 367.42 > 367.108958574 > 6 > 46 > 37.459901376624316 > 1 > 2 > 0 > 1 > (1S,4S,5S)-5-hydroxy-5-methyl-6,8-dioxo-4-pentyl-3-oxa-12-thia-9-azatricyclo[7.4.0.0^{2,7}]trideca-2(7),10-diene-10-carboxylic acid > 2.04 > 0.9499298143333333 > -3.02 > 0 > 3 > -1 > 10.963126431939537 > 4.047513551236024 > -4.006300642071872 > 104.14 > 93.05139999999999 > 5 > 1 > 3.50e-01 g/l > (1S,4S,5S)-5-hydroxy-5-methyl-6,8-dioxo-4-pentyl-3-oxa-12-thia-9-azatricyclo[7.4.0.0^{2,7}]trideca-2(7),10-diene-10-carboxylic acid > 0 > NP0014347 > Paraphaeosphaeride A $$$$