Mrv1902 03111922372D 66 68 0 0 0 0 999 V2000 2.6308 -1.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2227 -2.5434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3919 -2.5434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4147 -0.0364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2358 -0.0364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0066 0.6777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2227 -1.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 0.6777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6260 -0.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4147 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7799 -2.0574 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -1.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6536 0.6777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0073 0.2696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4357 -0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 -0.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 -0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 -1.1150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2358 1.3919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0073 -0.5562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7068 1.4939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8494 1.9166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 0.2550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1499 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 2.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 3.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -0.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1499 1.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 1.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 1.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2924 0.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -3.2576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 2.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1880 -1.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 0.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7264 3.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 1.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8494 2.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 1.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6308 -3.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4844 -2.4705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0706 -2.4705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3621 -1.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -0.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6536 -0.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4844 0.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 1.9070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5636 3.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2778 2.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 -0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7264 0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6536 2.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -0.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 -3.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 -3.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 1.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 3.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4147 -1.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4747 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -1.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 4 1 0 0 0 0 6 31 1 1 0 0 0 7 1 1 0 0 0 0 8 9 1 6 0 0 0 1 9 1 1 0 0 0 10 6 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 8 1 0 0 0 0 15 17 1 0 0 0 0 16 15 1 0 0 0 0 17 20 1 0 0 0 0 18 7 1 0 0 0 0 19 10 1 0 0 0 0 20 14 1 0 0 0 0 21 8 1 0 0 0 0 22 41 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 26 33 1 0 0 0 0 27 16 1 0 0 0 0 28 30 1 0 0 0 0 29 21 1 0 0 0 0 30 25 2 0 0 0 0 31 35 1 0 0 0 0 3 32 1 1 0 0 0 33 29 1 0 0 0 0 34 11 2 0 0 0 0 23 35 1 1 0 0 0 36 15 2 0 0 0 0 21 37 1 6 0 0 0 38 26 2 0 0 0 0 39 22 1 0 0 0 0 40 22 1 0 0 0 0 41 37 1 0 0 0 0 2 42 1 6 0 0 0 43 11 1 0 0 0 0 44 11 1 0 0 0 0 45 11 1 0 0 0 0 4 46 1 6 0 0 0 5 47 1 6 0 0 0 13 48 1 6 0 0 0 12 49 1 6 0 0 0 50 39 1 0 0 0 0 51 40 1 0 0 0 0 52 51 1 0 0 0 0 20 53 1 6 0 0 0 14 54 1 6 0 0 0 19 55 1 1 0 0 0 18 56 1 1 0 0 0 27 57 1 6 0 0 0 58 28 1 0 0 0 0 59 32 1 0 0 0 0 60 32 1 0 0 0 0 33 61 1 6 0 0 0 50 62 1 6 0 0 0 51 63 1 6 0 0 0 64 46 1 0 0 0 0 65 47 1 0 0 0 0 66 57 1 0 0 0 0 12 18 1 0 0 0 0 52 50 1 0 0 0 0 23 24 1 0 0 0 0 13 19 1 0 0 0 0 M END > DBSALT001661 > drugbank > OP(O)(O)=O.CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC > InChI=1S/C46H80N2O13.H3O4P/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;(H3,1,2,3,4)/b15-14+,25-19+;/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-;/m1./s1 > NESIVXZOSKKUDP-ARVJLQODSA-N > C46H83N2O17P > 967.141 > 966.542936219 > 14 > 149 > 95.56673950218178 > 0 > 4 > 0 > 0 > (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione; phosphoric acid > 3.34 > 4.189855971000002 > -4.25 > 1 > 4 > 2 > 13.144940476945836 > 12.545816859824676 > 10.16150547462678 > 186.15 > 232.2107000000001 > 12 > 0 > 4.84e-02 g/l > (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-10-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-yl]oxy}oxane-2-carboxylic acid > 0 > DBSALT001661 > Tilmicosin phosphate > DB11471 > Tilmicosin > 137330-13-3 > SMH7U1S683 $$$$