Mrv1909 03042003442D 61 67 0 0 0 0 999 V2000 2.8763 1.3049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5938 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3049 2.1300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5873 2.5372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8720 2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 1.3386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4288 0.5119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7100 1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 0.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5688 0.0963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8554 0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 1.3371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5753 1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2905 1.3370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9996 0.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1421 1.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1421 0.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0081 1.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0122 2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 1.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7214 1.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 1.3237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8695 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1575 1.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 -0.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 0.0692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4039 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -1.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3985 -1.9610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3679 -3.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -3.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 -2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -3.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 -3.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6810 -2.3600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0139 -1.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 -4.4143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -2.7903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 2.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 2.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 3.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -0.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 -1.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 2.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 0.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 -3.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -3.9653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 3.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 4.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5828 5.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8624 4.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 3.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -5.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 6 0 0 0 1 26 1 1 0 0 0 8 27 1 0 0 0 0 22 9 2 0 0 0 0 27 28 2 0 0 0 0 28 32 1 0 0 0 0 10 11 1 0 0 0 0 31 29 1 0 0 0 0 29 30 1 0 0 0 0 31 33 1 0 0 0 0 32 41 2 0 0 0 0 33 40 1 0 0 0 0 2 3 1 0 0 0 0 33 36 1 0 0 0 0 39 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 37 38 1 0 0 0 0 10 16 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 37 1 0 0 0 0 38 39 1 0 0 0 0 5 6 1 0 0 0 0 34 42 2 0 0 0 0 33 43 1 1 0 0 0 7 8 1 0 0 0 0 5 44 1 1 0 0 0 4 45 1 1 0 0 0 5 46 1 6 0 0 0 13 17 1 0 0 0 0 7 17 1 6 0 0 0 10 15 1 0 0 0 0 11 18 1 1 0 0 0 11 12 1 0 0 0 0 31 47 2 0 0 0 0 13 19 1 1 0 0 0 30 48 1 0 0 0 0 48 24 1 0 0 0 0 12 13 1 0 0 0 0 40 49 1 6 0 0 0 15 20 1 1 0 0 0 13 14 1 0 0 0 0 24 50 1 6 0 0 0 20 21 1 0 0 0 0 30 51 1 6 0 0 0 14 15 1 0 0 0 0 35 52 1 0 0 0 0 9 53 1 0 0 0 0 22 23 1 0 0 0 0 8 54 1 6 0 0 0 24 23 1 0 0 0 0 39 55 1 6 0 0 0 46 56 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 7 9 1 0 0 0 0 24 26 1 0 0 0 0 46 60 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 30 25 1 0 0 0 0 42 61 1 0 0 0 0 M END > DB11459 > drugbank > [H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)C5CCCCC5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O > InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1 > AFJYYKSVHJGXSN-XHKIUTQPSA-N > C43H63NO11 > 769.973 > 769.440111853 > 11 > 118 > -0.0026228254172319123 > 39.70486115594384 > 0 > 3 > 0 > 0 > (1'R,2R,4'S,5S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'Z,24'S)-6-cyclohexyl-24'-hydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-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 > 5.09 > 6.208163373333334 > -5.26 > 0 > 0 > 7 > 0 > 12.595405534757711 > 9.580613399258752 > -3.579495934580286 > 154.73 > 206.74740000000008 > 4 > 0 > 4.25e-03 g/l > 4,4'-dihydroxy-10,10'-dioxo-5,5'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9H,9'H-[9,9'-bianthracene]-2,2'-dicarboxylic acid > 0 > DB11459 > vet_approved > Selamectin > Selamectin $$$$