Mrv1652306242117263D 40 44 0 0 0 0 999 V2000 -3.9694 -0.7767 1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 -0.3261 -0.2851 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5756 -0.3317 -1.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4221 -1.2017 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3541 -2.3368 -1.5314 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0766 -2.6638 -1.7359 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 -1.7222 -1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -1.5282 -1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 -2.4406 -1.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5141 -0.4235 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 0.4934 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.3007 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1315 -0.8230 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7558 1.1590 0.6913 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5077 2.3878 1.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9576 1.1058 -0.2751 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4393 1.3314 -1.5489 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 1.5305 0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 2.5054 1.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 1.2083 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9213 1.8988 1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 1.3895 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2477 0.2284 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 -0.4675 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 -1.6251 -1.0673 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 0.0477 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2739 -1.4763 1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 0.1349 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9643 -1.2981 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 -0.0454 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1791 -2.8768 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -3.2275 -2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 0.5773 1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 2.6348 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7367 1.8133 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 2.2823 -1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7946 2.7991 1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 1.8985 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2128 -0.1945 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2219 -1.9416 -1.2638 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 1 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 > NP0016063 > 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-NXHRZFHOSA-N > C18H14N2O6 > 354.318 > 354.085186179 > 7 > 40 > 34.72751500179184 > 1 > 6 > 0 > 1 > (16S,17R,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,17R,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 > NP0016063 > Pyrazolofluostatin B $$$$