Mrv1652306242117193D 66 67 0 0 0 0 999 V2000 -3.6012 3.1379 0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8167 1.9862 0.9015 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9574 1.9087 -0.1801 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5537 2.1363 0.3695 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2012 1.2013 1.3101 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 1.9751 -0.8346 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6761 2.5032 -0.6024 N 0 0 2 0 0 0 0 0 0 0 0 0 0.4475 0.4800 -1.0708 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1914 -0.0350 -0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -0.5106 -0.3967 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4544 0.2344 0.1827 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 -0.4434 0.5899 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7242 0.5262 0.6609 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3858 1.6098 1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9509 -0.0889 1.0821 N 0 0 2 0 0 0 0 0 0 0 0 0 4.8734 -1.5197 -0.4371 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8489 -2.6075 -0.1951 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4772 -1.9756 -0.1172 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6835 -2.6493 -1.1298 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.8754 -0.1974 -1.1075 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9863 -1.2649 -0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 0.7068 -1.0252 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2420 -0.1146 -0.7749 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -0.2898 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5322 -0.7420 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7211 -0.5619 1.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6863 -1.6087 0.7190 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6029 -1.8400 -0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8774 -1.9336 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5816 -1.8167 1.0107 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 4.0088 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 3.0820 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1444 3.2235 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 2.8607 -0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 3.1812 0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 1.6771 2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 2.4049 -1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 2.5533 0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 3.3998 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 0.3756 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5387 -0.3663 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4461 -0.8994 1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 0.9831 -0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 2.1905 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3038 2.2283 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1899 1.1219 2.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3487 -0.7522 0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0003 -0.3381 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6654 -1.1179 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 -1.9503 -0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9325 -3.4108 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 -3.0476 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9869 -2.2122 0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 -1.9856 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 -3.1890 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9174 -0.6878 -2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -2.0283 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 1.0874 -2.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 -1.3684 -2.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 0.2462 -2.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 0.0506 -1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2299 -1.2218 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2999 -2.6101 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4498 -2.1130 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1792 -0.9754 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4785 -2.6071 1.6895 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 8 20 1 0 0 0 0 20 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 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 22 3 1 0 0 0 0 18 10 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 3 34 1 6 0 0 0 4 35 1 1 0 0 0 5 36 1 0 0 0 0 6 37 1 6 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 6 0 0 0 10 41 1 6 0 0 0 12 42 1 1 0 0 0 13 43 1 6 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 1 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 6 0 0 0 21 57 1 0 0 0 0 22 58 1 6 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 M END > NP0015434 > NP-MRD > [H]O[C@]1([H])[C@]([H])(OC([H])([H])[H])[C@]([H])(N(C(=O)C([H])([H])\N=C(\[H])N([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[C@@]2([H])O[C@@]([H])(C([H])([H])C([H])([H])[C@]2([H])N([H])[H])[C@]([H])(N([H])[H])C([H])([H])[H])[C@]1([H])N([H])[H] > InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)/t8-,9+,10+,12-,13-,14+,15+,16-,17-,18-/m1/s1 > VFBPKQSATYZKRX-GIOBUSRISA-N > C18H36N6O6 > 432.522 > 432.269632903 > 11 > 66 > 45.497305475722875 > 0 > 6 > 0 > 0 > N-[(1R,2S,3R,4R,5S,6R)-4-amino-3-{[(2R,3S,6S)-3-amino-6-[(1R)-1-aminoethyl]oxan-2-yl]oxy}-2,5-dihydroxy-6-methoxycyclohexyl]-2-[(Z)-(aminomethylidene)amino]-N-methylacetamide > -1.87 > -4.124309760999999 > -1.19 > 0 > 2 > 4 > 13.772315810956982 > 13.156828105751757 > 9.924427235541561 > 204.9 > 106.40599999999999 > 7 > 0 > 2.81e+01 g/l > N-[(1R,2S,3R,4R,5S,6R)-4-amino-3-{[(2R,3S,6S)-3-amino-6-[(1R)-1-aminoethyl]oxan-2-yl]oxy}-2,5-dihydroxy-6-methoxycyclohexyl]-2-[(Z)-(aminomethylidene)amino]-N-methylacetamide > 0 > NP0015434 > 1-epidactimicin $$$$