Mrv1909 01202020502D 71 73 0 0 0 0 999 V2000 -2.0613 -3.6718 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 -4.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2146 -3.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 -2.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 -3.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -2.2760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6656 -1.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -2.2763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0644 -2.9740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6698 -3.3219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2756 -2.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -0.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8762 -1.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4672 -0.8939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2900 -0.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 -0.1980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8762 0.1497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0582 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 -1.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0582 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 0.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6493 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0582 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 1.4414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4719 0.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 -1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2202 2.6991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5165 2.2772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2283 1.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5161 1.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9325 2.3110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9414 1.4980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1020 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 1.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 3.4961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6434 2.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7994 2.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6493 1.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9223 3.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8001 3.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 1.0314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6839 1.0219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1255 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -0.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 -0.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6791 0.1878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6085 1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 2.2897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1492 3.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 3.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 0.1878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6180 2.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 3.5765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1111 1.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 4.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6011 2.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4512 -0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 2.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 1.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 2.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 2.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4846 3.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 -1.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 -1.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 -3.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 -3.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 -3.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 30 34 1 6 0 0 0 31 32 1 0 0 0 0 32 29 1 0 0 0 0 34 33 1 0 0 0 0 27 35 1 1 0 0 0 31 36 1 1 0 0 0 28 37 1 1 0 0 0 32 38 1 6 0 0 0 39 35 1 0 0 0 0 40 37 1 0 0 0 0 27 31 1 0 0 0 0 41 33 1 1 0 0 0 17 15 1 0 0 0 0 14 18 1 1 0 0 0 13 19 1 6 0 0 0 16 20 1 6 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 18 1 0 0 0 0 14 16 1 0 0 0 0 24 21 1 6 0 0 0 13 12 1 0 0 0 0 17 25 1 6 0 0 0 12 26 1 1 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 7 1 0 0 0 0 14 13 1 0 0 0 0 42 24 1 0 0 0 0 43 45 1 0 0 0 0 44 43 1 0 0 0 0 45 46 1 0 0 0 0 46 42 1 0 0 0 0 47 52 2 0 0 0 0 48 24 1 0 0 0 0 41 51 1 0 0 0 0 49 50 1 0 0 0 0 50 55 1 0 0 0 0 51 44 1 0 0 0 0 52 54 1 0 0 0 0 53 48 1 0 0 0 0 54 49 2 0 0 0 0 55 53 1 0 0 0 0 56 43 2 0 0 0 0 57 50 2 0 0 0 0 58 60 2 0 0 0 0 46 59 1 6 0 0 0 60 62 1 0 0 0 0 42 61 1 6 0 0 0 48 62 1 6 0 0 0 51 63 1 6 0 0 0 64 52 1 0 0 0 0 55 65 1 6 0 0 0 66 63 1 0 0 0 0 41 47 1 0 0 0 0 19 6 1 0 0 0 0 15 12 1 0 0 0 0 6 67 1 6 0 0 0 16 17 1 0 0 0 0 9 68 1 1 0 0 0 27 28 1 0 0 0 0 10 69 1 1 0 0 0 28 30 1 0 0 0 0 10 70 1 6 0 0 0 29 30 1 0 0 0 0 8 71 1 6 0 0 0 M END > DBSALT001662 > drugbank > OP(O)(O)=O.[H][C@@]1(C[C@@](C)(O)[C@@H](O)[C@H](C)O1)O[C@@H]1[C@@H](C)O[C@@]([H])(O[C@H]2[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)[C@H](O)[C@H]1N(C)C > InChI=1S/C46H77NO17.H3O4P/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;1-5(2,3)4/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;(H3,1,2,3,4)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;/m1./s1 > NBOODGNJLRRJNA-IAGPQMRQSA-N > C46H80NO21P > 1014.106 > 1013.496045598 > 17 > 149 > 0.9641449456669883 > 97.50932322364594 > 0 > 5 > 0 > 0 > 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-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-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde; phosphoric acid > 1.46 > 2.315907304000004 > -3.64 > 1 > 1 > 4 > 1 > 12.953363083658473 > 12.449875569526757 > 8.429660884132945 > 238.67 > 232.20710000000014 > 13 > 0 > 2.11e-01 g/l > benzoxonium chloride > 0 > DBSALT001662 > Tylosin phosphate > DB11475 > Tylosin > 1405-53-4 > NR75X12AFF $$$$