Mrv1909 11111922142D 100107 0 0 0 0 999 V2000 -7.3039 0.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3356 1.4411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6406 2.2773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8173 2.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4098 2.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5865 2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1406 2.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 2.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 3.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3885 3.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2127 3.7338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 0.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8481 0.2273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2106 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6649 -2.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8748 -2.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4031 -2.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -1.6062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 -1.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3536 -3.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5844 -2.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6284 -2.0164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4284 -1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8725 -2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6600 -1.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6916 -0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -1.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9041 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0791 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8666 3.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9916 1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9916 2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8666 1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4291 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2083 0.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6374 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3499 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0624 1.3831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7749 0.9748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 2.7579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3812 2.5090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8627 3.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3714 3.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5905 3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3488 4.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 3.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 2.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 3.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0606 4.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0693 -3.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0682 -4.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 -4.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4994 -4.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4966 -3.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7812 -2.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7749 -2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -1.6501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4874 -1.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2083 -2.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5068 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 -2.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2205 -3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9369 -2.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9341 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2187 -1.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2124 -0.8251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9249 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6374 -0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3499 -0.4126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0624 -0.8251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7749 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4874 -0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 0.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -0.4126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7911 -0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 -0.4126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7911 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 -0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -0.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -1.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 1.6540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4958 2.0706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 1.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2041 0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 2.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7708 2.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0749 -1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7916 2.9748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 18 1 0 0 0 0 3 33 1 6 0 0 0 3 4 1 0 0 0 0 2 34 1 6 0 0 0 34 35 1 0 0 0 0 4 5 2 0 0 0 0 34 36 1 0 0 0 0 25 37 1 0 0 0 0 6 11 1 0 0 0 0 1 37 1 0 0 0 0 8 9 2 0 0 0 0 37 38 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 17 2 0 0 0 0 22 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 22 1 0 0 0 0 6 7 2 0 0 0 0 24 27 1 0 0 0 0 27 21 1 0 0 0 0 13 14 1 0 0 0 0 27 28 2 0 0 0 0 19 16 1 0 0 0 0 2 3 1 0 0 0 0 15 29 2 0 0 0 0 14 15 1 0 0 0 0 13 30 1 1 0 0 0 1 2 1 0 0 0 0 12 31 2 0 0 0 0 15 16 1 0 0 0 0 31 32 1 0 0 0 0 31 8 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 48 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 54 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 58 63 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 64 1 0 0 0 0 70 69 1 6 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 81 82 2 0 0 0 0 83 84 1 0 0 0 0 39 40 1 0 0 0 0 41 40 1 6 0 0 0 83 86 1 0 0 0 0 84 85 1 0 0 0 0 85 78 1 0 0 0 0 77 86 1 0 0 0 0 80 70 1 0 0 0 0 41 42 1 0 0 0 0 84 87 2 0 0 0 0 43 44 1 0 0 0 0 79 88 2 0 0 0 0 71 89 2 0 0 0 0 73 90 1 6 0 0 0 74 61 1 1 0 0 0 75 42 1 0 0 0 0 82 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 44 45 1 0 0 0 0 93 94 2 0 0 0 0 45 46 1 0 0 0 0 91 95 1 6 0 0 0 95 50 1 0 0 0 0 46 47 1 0 0 0 0 92 96 1 0 0 0 0 93 43 1 0 0 0 0 47 43 1 0 0 0 0 41 97 1 0 0 0 0 97 98 2 0 0 0 0 97 44 1 0 0 0 0 78 99 1 1 0 0 0 48 49 2 0 0 0 0 43100 1 1 0 0 0 M END > DB11476 > drugbank > CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)C2=COC(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C)=N2.[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=C(O)C=CC=N1)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)CCN1C(=O)[C@H](CC1=CC=CC=C1)N(C)C2=O)C1=CC=CC=C1 > InChI=1S/C43H49N7O10.C28H35N3O7/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b;7-5+,10-9+,18-13+/t25-,29-,30+,31+,32+,34+,35+;19-,20-,26-/m11/s1 > MVTQIFVKRXBCHS-SMMNFGSLSA-N > C71H84N10O17 > 1349.506 > 1348.601591285 > 10 > 182 > 83.46314759015388 > 0 > 4 > 0 > 0 > (10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone; N-[(3S,6S,12R,15S,16R,19S,22S)-3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide > 2.25 > 1.8531505056666662 > -3.77 > 1 > 9 > 0 > 11.41322185490745 > 7.529846126052909 > 2.572716431037681 > 224.71999999999997 > 213.23720000000014 > 7 > 0 > 1.39e-01 g/l > biib021 > 0 > DB11476 > vet_approved > Virginiamycin > Virginiamicina; Virginiamycin; Virginiamycine; Virginiamycinum > Virginiamycin $$$$