Mrv1909 11232023332D 85 93 0 0 0 0 999 V2000 -4.3682 1.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5775 1.7266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5552 2.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3356 2.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 2.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8619 1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8619 2.9700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7453 6.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9828 6.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2703 6.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5578 6.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8453 6.2617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4212 7.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4212 6.2617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7092 5.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 6.2617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0027 7.0867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7092 7.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8453 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1332 5.0284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4212 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1332 6.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0112 7.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 7.0867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 7.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 4.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 3.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 4.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8661 0.4950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3411 3.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0578 4.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0619 4.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7786 5.3034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4953 4.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1494 3.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5828 0.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5619 3.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 5.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 6.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4104 -5.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2011 -5.6884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2234 -4.8636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4430 -4.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9446 -5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -6.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 -5.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -4.4450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0333 -1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -0.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -1.1533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3574 -0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 -1.1533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0694 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7814 -1.1533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7814 -0.3283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0694 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -2.3866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3574 -1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -0.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7674 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.3283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -3.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -3.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -6.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -6.9200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -3.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 -3.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -2.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.1116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7166 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -4.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 -6.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -4.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -7.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4953 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 21 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 10 11 1 0 0 0 0 1 2 1 0 0 0 0 14 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 16 1 0 0 0 0 16 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 14 26 1 6 0 0 0 12 13 1 0 0 0 0 19 27 1 6 0 0 0 2 3 1 0 0 0 0 14 13 1 1 0 0 0 22 28 1 1 0 0 0 16 15 1 1 0 0 0 28 29 1 0 0 0 0 29 9 1 0 0 0 0 3 4 1 0 0 0 0 29 30 2 0 0 0 0 3 9 1 0 0 0 0 7 31 1 0 0 0 0 2 6 1 0 0 0 0 6 32 2 0 0 0 0 6 7 1 0 0 0 0 4 33 2 0 0 0 0 7 8 2 0 0 0 0 33 34 1 0 0 0 0 8 9 1 0 0 0 0 34 35 2 0 0 0 0 15 20 1 0 0 0 0 35 36 1 0 0 0 0 36 10 1 0 0 0 0 16 17 1 6 0 0 0 36 37 1 6 0 0 0 17 18 1 0 0 0 0 9 38 1 1 0 0 0 18 19 1 0 0 0 0 2 39 1 6 0 0 0 19 20 1 0 0 0 0 3 40 1 6 0 0 0 32 41 1 0 0 0 0 18 42 1 1 0 0 0 42 43 1 0 0 0 0 57 64 1 0 0 0 0 47 48 1 0 0 0 0 48 44 1 0 0 0 0 53 54 1 0 0 0 0 44 45 1 0 0 0 0 57 67 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 59 1 0 0 0 0 59 67 1 0 0 0 0 54 55 2 0 0 0 0 54 68 1 0 0 0 0 57 69 1 6 0 0 0 55 56 1 0 0 0 0 62 70 1 6 0 0 0 45 46 1 0 0 0 0 57 56 1 1 0 0 0 65 71 1 1 0 0 0 59 58 1 1 0 0 0 71 72 1 0 0 0 0 72 52 1 0 0 0 0 46 47 1 0 0 0 0 72 73 2 0 0 0 0 46 52 1 0 0 0 0 50 74 1 0 0 0 0 45 49 1 0 0 0 0 49 75 2 0 0 0 0 49 50 1 0 0 0 0 47 76 2 0 0 0 0 50 51 2 0 0 0 0 76 77 1 0 0 0 0 51 52 1 0 0 0 0 77 78 2 0 0 0 0 58 63 1 0 0 0 0 78 79 1 0 0 0 0 79 53 1 0 0 0 0 59 60 1 6 0 0 0 79 80 1 6 0 0 0 60 61 1 0 0 0 0 52 81 1 1 0 0 0 61 62 1 0 0 0 0 45 82 1 6 0 0 0 62 63 1 0 0 0 0 46 83 1 6 0 0 0 75 84 1 0 0 0 0 61 85 1 1 0 0 0 M END > DB11531 > drugbank > [H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C)O5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O.[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@H](C[C@]5(CC[C@H](C)[C@@H](CC)O5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O > InChI=1S/C32H45NO7.C31H43NO7/c1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35;1-18-7-6-8-23-17-36-28-27(32-35)21(4)14-26(31(23,28)34)29(33)37-25-15-24(10-9-19(2)13-18)39-30(16-25)12-11-20(3)22(5)38-30/h7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3;6-9,14,18,20,22,24-26,28,34-35H,10-13,15-17H2,1-5H3/b8-7+,20-10+,23-9+,33-28-;7-6+,19-9+,23-8+,32-27-/t19-,21-,24+,25-,26-,27+,29+,31+,32+;18-,20-,22+,24+,25-,26-,28+,30-,31+/m00/s1 > CKVMAPHTVCTEMM-ALPQRHTBSA-N > C63H88N2O14 > 1097.397 > 1096.623555522 > 7 > 167 > 0.00023535288797142432 > 61.18465880113925 > 0 > 2 > 0 > 0 > (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-24'-hydroxy-21'-(hydroxyimino)-5,6,11',13',22'-pentamethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one; (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-6-ethyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one > 5.60 > 5.306228903999999 > -4.93 > 0 > 0 > 10 > 0 > 12.714493086334116 > 9.58071418230883 > -3.838400691313147 > 106.81 > 154.72640000000004 > 1 > 0 > 6.56e-03 g/l > (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-24'-hydroxy-21'-(hydroxyimino)-5,6,11',13',22'-pentamethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one; (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-6-ethyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one > 0 > DB11531 > vet_approved > Milbemycin oxime > Interceptor $$$$