Mrv1909 03042004492D 83 85 0 0 0 0 999 V2000 4.7061 1.4412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3905 1.8740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0967 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0967 0.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 1.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 2.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9997 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9997 2.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 1.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7061 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -3.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -3.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1201 -5.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 -3.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2133 -5.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5298 -0.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7181 -2.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8332 -1.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2264 -2.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6932 -1.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8349 -3.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -2.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6932 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -1.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 -4.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 0.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 -4.2743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 -2.9726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8116 -3.4309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0967 -2.9726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0967 -2.1476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7083 -5.0993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5449 -2.1476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9932 -3.8526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4049 -4.6777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9932 -4.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 -3.8526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7181 -1.1211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4331 -1.5245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7181 -0.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2766 -5.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 -2.3676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8349 -4.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1201 -3.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 -4.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -4.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2264 -1.4878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9780 -1.0661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5298 -1.0661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4331 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9780 -0.2411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0216 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2264 0.1621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1848 -2.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 -1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 0.9504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5315 -5.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -2.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3664 -1.5245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3664 -2.3676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1848 1.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0815 -1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7181 -3.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6749 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2466 -4.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2264 1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7181 1.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0815 -2.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9416 -2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3898 -1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 -4.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9433 -5.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2099 -3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3298 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7782 -2.3676 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 3 2 0 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 1 0 0 0 31 11 1 1 0 0 0 37 11 1 6 0 0 0 12 34 1 0 0 0 0 12 36 1 0 0 0 0 34 13 1 6 0 0 0 41 13 1 6 0 0 0 14 37 1 0 0 0 0 14 40 1 0 0 0 0 38 15 1 6 0 0 0 15 47 1 0 0 0 0 33 16 1 1 0 0 0 35 17 1 6 0 0 0 18 53 1 0 0 0 0 18 57 1 0 0 0 0 46 19 1 6 0 0 0 19 67 1 0 0 0 0 53 20 1 1 0 0 0 20 66 1 0 0 0 0 51 21 1 6 0 0 0 21 77 1 0 0 0 0 52 22 1 6 0 0 0 22 78 1 0 0 0 0 23 47 2 0 0 0 0 24 62 1 0 0 0 0 24 64 1 0 0 0 0 55 25 1 6 0 0 0 26 62 2 0 0 0 0 27 65 2 0 0 0 0 28 67 2 0 0 0 0 29 68 2 0 0 0 0 32 30 1 6 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 0 0 0 0 35 44 1 1 0 0 0 36 45 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 40 48 1 1 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 46 1 0 0 0 0 42 59 1 6 0 0 0 43 54 1 0 0 0 0 43 56 1 6 0 0 0 46 58 1 0 0 0 0 47 61 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 52 55 1 0 0 0 0 54 60 1 0 0 0 0 55 57 1 0 0 0 0 56 68 1 0 0 0 0 57 70 1 1 0 0 0 58 62 1 0 0 0 0 60 65 1 0 0 0 0 60 73 1 6 0 0 0 61 69 1 0 0 0 0 63 64 1 0 0 0 0 63 66 1 1 0 0 0 63 71 1 0 0 0 0 64 75 1 6 0 0 0 65 72 1 0 0 0 0 67 79 1 0 0 0 0 69 80 1 0 0 0 0 69 81 1 0 0 0 0 71 74 2 0 0 0 0 72 76 2 0 0 0 0 74 76 1 0 0 0 0 74 82 1 0 0 0 0 75 83 1 0 0 0 0 M END > DBSALT001708 > drugbank > O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC[C@H]1OC(=O)C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)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/C53H87NO19.C4H6O6/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3;5-1(3(7)8)2(6)4(9)10/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3;1-2,5-6H,(H,7,8)(H,9,10)/b18-17+,28-22+;/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-;1-,2-/m11/s1 > OLLSDNUHBJHKJS-XKORHJEPSA-N > C57H93NO25 > 1192.353 > 1191.603667499 > 17 > 176 > 0.9641475051011119 > 111.3663513044979 > 0 > 3 > 0 > 0 > (2R,3R)-2,3-dihydroxybutanedioic acid; (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-(acetyloxy)-16-ethyl-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate > 3.80 > 4.630281733000007 > -4.46 > 1 > 1 > 4 > 1 > 13.19044088293565 > 12.570482703189043 > 8.429670937160706 > 250.80999999999997 > 264.2866 > 22 > 0 > 3.61e-02 g/l > methyl (1R,15S,17S,18R,19S,20S)-6,17,18-trimethoxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate > 0 > DBSALT001708 > Tylvalosin tartrate > DB11554 > Tylvalosin > 63428-13-7 > AL5667FY0W $$$$