Mrv1652304282216572D 61 66 0 0 1 0 999 V2000 0.8369 -1.6535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3445 -0.9348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0770 -0.1315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0336 0.6996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2073 1.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5853 2.2514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1413 2.8671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8368 3.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 3.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 3.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 3.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 4.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0172 3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4414 3.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6895 2.6011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 1.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 1.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0256 0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7762 0.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3576 0.8534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0524 1.6198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9337 1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9566 0.4463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3806 -0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5811 0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7561 0.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3321 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1316 0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9796 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6046 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4146 0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6188 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4146 1.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -0.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9319 -1.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5938 -1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 -0.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6683 -1.8560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9280 -2.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2649 -2.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4899 -2.1876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0625 -2.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 -3.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5108 -1.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8303 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3263 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7876 -0.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 3.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0939 2.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3944 -1.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 -2.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 -2.5815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2293 -2.2116 0.0000 C 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 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 19 1 6 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 20 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 1 0 0 0 18 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 16 33 1 0 0 0 0 33 34 2 0 0 0 0 32 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 31 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 1 45 1 0 0 0 0 45 46 1 6 0 0 0 46 47 1 0 0 0 0 41 48 1 0 0 0 0 37 48 1 0 0 0 0 41 49 1 1 0 0 0 36 50 1 0 0 0 0 35 51 1 0 0 0 0 7 52 1 1 0 0 0 6 53 1 1 0 0 0 5 54 1 6 0 0 0 4 55 1 6 0 0 0 3 56 1 6 0 0 0 2 57 1 1 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 1 61 1 1 0 0 0 M END > NP0069581 > NP-MRD > CC[C@@H](C)N1CCC2(CC1)NC1=C3NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)\C=C/O[C@@]4(C)OC5=C(C4=O)C(C1=N2)=C(C(O)=C5C)C3=O > InChI=1S/C46H62N4O11/c1-12-24(4)50-19-17-46(18-20-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-21-16-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)22(2)14-13-15-23(3)44(57)47-36(40(32)55)35(34)49-46/h13-16,21-22,24-27,30,37-38,41,49,52-54H,12,17-20H2,1-11H3,(H,47,57)/b14-13-,21-16-,23-15-/t22-,24+,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 > KTYFUEQGJABZDI-LTUNFCDRSA-N > C46H62N4O11 > 847.019 > 846.441508832 > 13 > 123 > 90.4162358969757 > 0 > 5 > 0 > 0 > (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-1'-[(2R)-butan-2-yl]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidin]-1(31),2,4,9,19,21,25,29-octaen-13-yl acetate > 4.43 > 3.9487140140878245 > -4.69 > 0 > 6 > 0 > 12.632768747117531 > 6.876385529157156 > 7.837502402493889 > 205.54999999999998 > 232.59170000000012 > 5 > 0 > 1.71e-02 g/l > (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-1'-[(2R)-butan-2-yl]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidin]-1(31),2,4,9,19,21,25,29-octaen-13-yl acetate > 0 > NP0069581 > Ansamycin $$$$