Mrv1909 11111922182D 71 77 0 0 0 0 999 V2000 5.1932 2.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 2.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0653 3.0523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2481 3.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9374 3.9297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4440 4.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2613 4.4678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7679 5.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5719 3.7035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3892 3.5904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 4.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 4.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5851 5.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 4.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6135 3.3916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7963 3.5047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4856 4.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 2.8535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6004 2.0892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4177 1.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 2.6273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7415 2.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 1.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6704 1.1273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0897 1.7624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5038 2.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4673 2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2135 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 1.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0269 2.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8482 2.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8562 1.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3908 2.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6068 1.3997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2293 1.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7555 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1515 0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 0.3797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7568 0.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 -0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0098 -0.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8206 -0.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1819 -1.4063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6278 -1.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4673 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -1.4063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1812 -1.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1141 -0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 -0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5277 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2973 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -2.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4673 -2.6439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1819 -2.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -3.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -3.8815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0383 -4.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -5.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3238 -3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4673 -4.2940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4673 -5.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1819 -3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1819 -3.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2642 1.1273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4563 0.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5336 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5818 3.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7130 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1161 1.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 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 1 0 0 0 7 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 5 14 1 6 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 19 24 1 6 0 0 0 25 24 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 1 0 0 0 40 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 6 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 6 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 25 52 1 0 0 0 0 52 53 1 0 0 0 0 48 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 45 56 1 0 0 0 0 55 57 1 6 0 0 0 57 58 1 0 0 0 0 58 59 1 6 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 58 62 1 0 0 0 0 62 63 1 1 0 0 0 62 64 1 0 0 0 0 64 65 2 0 0 0 0 55 65 1 0 0 0 0 40 66 1 0 0 0 0 31 66 1 0 0 0 0 34 66 1 0 0 0 0 66 67 1 6 0 0 0 38 68 1 0 0 0 0 10 69 1 0 0 0 0 37 70 1 0 0 0 0 67 71 1 0 0 0 0 M END > DB11405 > drugbank > [H]O[C@@H]1C(C)=C[C@@]2([H])C(=O)O[C@@]3([H])C[C@@]([H])(C\C=C(C)/[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@@H](OC)[C@H](N([H])C(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C/C=C4/CO[C@@]1([H])[C@]24O[H])O[C@@]1(C3)O[C@H](C(C)C)[C@@H](C)C=C1 > InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1 > WPNHOHPRXXCPRA-TVXIRPTOSA-N > C49H73NO14 > 900.116 > 899.503106035 > 13 > 137 > 98.7713904102222 > 0 > 3 > 0 > 0 > N-[(2S,3R,4R,6S)-6-{[(2S,3R,4S,6R)-6-[(1'R,2S,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-5,11',13',22'-tetramethyl-6-(propan-2-yl)-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-oneoxy]-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]acetamide > 3.90 > 5.115829066333334 > -5.08 > 1 > 7 > 0 > 13.24507687333636 > 12.489647816752315 > -1.338042195062069 > 178.92999999999998 > 237.6801000000001 > 8 > 0 > 7.47e-03 g/l > biib021 > 0 > DB11405 > vet_approved > Eprinomectin > Eprinomectin; Eprinomectina; éprinomectine; Eprinomectinum > Eprinex $$$$