Mrv1652306242117263D 40 44 0 0 0 0 999 V2000 -3.9341 -0.5762 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4289 -0.3737 -0.4016 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4624 -0.5461 -1.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3437 -1.3280 -0.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2824 -2.5521 -1.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 -2.9230 -1.4277 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2186 -1.9141 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1332 -1.6981 -0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0131 -2.6785 -1.2616 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -0.4954 -0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 0.4960 0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 0.2929 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0553 -0.9210 -0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6848 1.2379 0.3644 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4347 2.5204 0.5983 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8857 1.0338 -0.5823 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8919 1.9206 -0.2685 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 1.6280 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 2.6758 1.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 1.2781 0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9636 2.0325 0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 1.4915 0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3225 0.2265 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2047 -0.5308 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -1.7877 -0.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 0.0161 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1553 -1.1319 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 0.3994 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8854 -1.1648 1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0525 0.2305 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1276 -3.1171 -1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -3.5355 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 0.8131 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 2.9062 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4819 1.1423 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8366 2.2659 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 3.0227 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1048 2.0675 0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3006 -0.2256 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2846 -2.1981 -0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 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 14 16 1 0 0 0 0 16 17 1 0 0 0 0 11 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 16 2 1 0 0 0 0 26 20 1 0 0 0 0 13 4 2 0 0 0 0 13 7 1 0 0 0 0 26 10 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 3 30 1 0 0 0 0 5 31 1 0 0 0 0 9 32 1 0 0 0 0 14 33 1 1 0 0 0 15 34 1 0 0 0 0 16 35 1 6 0 0 0 17 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 25 40 1 0 0 0 0 M END > NP0016062 > NP-MRD > [H]OC1=C2C(=C([H])C([H])=C1[H])C(=O)C1=C3C4=C(N([H])N=C4C(O[H])=C21)[C@@](O[H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]3([H])O[H] > InChI=1S/C18H14N2O6/c1-18(26)16-11-10(15(24)17(18)25)9-8(14(23)12(11)19-20-16)7-5(13(9)22)3-2-4-6(7)21/h2-4,15,17,21,23-26H,1H3,(H,19,20)/t15-,17+,18+/m1/s1 > QVOSMRYNYHXRDM-NJAFHUGGSA-N > C18H14N2O6 > 354.318 > 354.085186179 > 7 > 40 > 34.84170180749292 > 1 > 6 > 0 > 1 > (16S,17S,18R)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0^{2,10}.0^{4,9}.0^{15,19}]nonadeca-1,4,6,8,10,12,15(19)-heptaen-3-one > 1.44 > 0.1625113423333334 > -1.97 > 0 > 5 > -1 > 8.538144488510612 > 6.651942854469808 > 0.4704987632834474 > 146.9 > 90.9205 > 0 > 0 > 3.75e+00 g/l > (16S,17S,18R)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0^{2,10}.0^{4,9}.0^{15,19}]nonadeca-1,4,6,8,10,12,15(19)-heptaen-3-one > 0 > NP0016062 > Pyrazolofluostatin A $$$$