Mrv1533004171500572D 51 57 0 0 0 0 999 V2000 -4.2969 -2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -2.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8894 -2.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 -2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 -3.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 -3.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3797 -3.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0123 -4.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 -2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7243 -1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 -2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 -2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -1.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6683 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.8567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 0.8706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.8857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8562 -1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 1.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 2.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 2.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 2.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 2.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5165 2.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3824 3.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0203 4.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 3.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9724 3.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2004 3.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 4.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7043 5.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2943 4.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8449 1.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 -0.8709 0.0000 N 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 12 29 1 0 0 0 0 28 30 1 0 0 0 0 10 30 1 0 0 0 0 30 31 2 0 0 0 0 26 32 1 0 0 0 0 32 33 2 0 0 0 0 24 33 1 0 0 0 0 33 34 1 0 0 0 0 22 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 37 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 35 49 1 0 0 0 0 20 49 1 0 0 0 0 49 50 2 0 0 0 0 18 51 1 0 0 0 0 14 51 1 0 0 0 0 M END > NP0224999 > NP-MRD > CC1OC(C(O)CC1O)C1(C)C(=O)C2=N\C\1=C/C1=CC(C)=C(N1)\C=C1/N=C(/C=C3\N/C(/C=C3C)=C\2)C(C)(C2OC(C)C(O)CC2OC(C)=O)C1=O > InChI=1S/C38H44N4O9/c1-16-9-22-11-31-37(6,35-29(46)14-27(44)18(3)49-35)33(47)25(41-31)10-21-8-17(2)24(39-21)13-32-38(7,34(48)26(42-32)12-23(16)40-22)36-30(51-20(5)43)15-28(45)19(4)50-36/h8-13,18-19,27-30,35-36,39-40,44-46H,14-15H2,1-7H3/b21-10-,22-11-,23-12-,24-13-,25-10-,26-12-,31-11-,32-13- > LXLDOKHNFJEFAC-HVBSWQQVSA-N > C38H44N4O9 > 700.789 > 700.310829013 > 10 > 95 > 75.76627050278489 > 1 > 5 > 0 > 0 > 2-[14-(3,5-dihydroxy-6-methyloxan-2-yl)-4,9,14,20-tetramethyl-5,15-dioxo-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaen-4-yl]-5-hydroxy-6-methyloxan-3-yl acetate > 3.00 > 3.4050000203333357 > -4.58 > 0 > 7 > 0 > 14.0825469365662 > 13.59806636861703 > 1.174578114444895 > 196.95 > 183.3191 > 4 > 0 > 1.84e-02 g/l > 2-[14-(3,5-dihydroxy-6-methyloxan-2-yl)-4,9,14,20-tetramethyl-5,15-dioxo-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaen-4-yl]-5-hydroxy-6-methyloxan-3-yl acetate > 0 > NP0224999 > 2-[14-(3,5-dihydroxy-6-methyloxan-2-yl)-4,9,14,20-tetramethyl-5,15-dioxo-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,6(24),7,9,11,13(22),16,18-nonaen-4-yl]-5-hydroxy-6-methyloxan-3-yl acetate $$$$