Mrv1652312081619462D 71 72 0 0 1 0 999 V2000 -6.7160 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0016 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2871 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5726 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8581 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1437 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7147 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2858 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2866 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7155 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1445 0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -0.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3608 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3608 -0.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6463 -0.6455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3608 -1.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3608 -1.8830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6463 -2.2955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9318 -1.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9318 -1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2174 -2.2955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5029 -1.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5029 -1.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7884 -0.6455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7884 0.1795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5029 0.5920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2174 0.1795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9318 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9318 1.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6463 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2174 -0.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5029 1.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7884 1.8295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7884 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0739 3.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3595 2.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3595 1.8295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0739 1.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6450 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6450 3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6866 3.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4613 3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2858 3.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0739 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0739 -1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3595 -0.6455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6450 -1.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9305 -0.6455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9305 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6450 0.5920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3595 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1601 1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2161 -1.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2161 -1.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5016 -0.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6450 -1.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9094 -1.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2174 -3.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6463 -3.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0752 -2.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7980 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1853 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 23 38 1 0 0 0 0 35 39 1 6 0 0 0 34 40 1 6 0 0 0 41 40 1 6 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 41 46 1 0 0 0 0 45 47 1 1 0 0 0 44 48 1 6 0 0 0 43 49 1 1 0 0 0 43 50 1 6 0 0 0 50 51 1 0 0 0 0 33 52 1 1 0 0 0 32 53 1 6 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 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 54 59 1 0 0 0 0 58 60 1 1 0 0 0 56 61 1 1 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 55 64 1 6 0 0 0 31 65 1 6 0 0 0 31 66 1 1 0 0 0 29 67 1 6 0 0 0 26 68 1 1 0 0 0 25 69 1 6 0 0 0 24 70 1 6 0 0 0 24 71 1 1 0 0 0 M END > DBSALT001221 > drugbank > CCCCCCCCCCCCCCCCCC(O)=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O > InChI=1S/C37H67NO13.C18H36O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-17H2,1H3,(H,19,20)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1 > YAVZHCFFUATPRK-YZPBMOCRSA-N > C55H103NO15 > 1018.421 > 1017.732771621 > 13 > 174 > 79.36188328269208 > 0 > 5 > 0 > 0 > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione; octadecanoic acid > 2.37 > 2.596388847333333 > -3.20 > 1 > 3 > 1 > 12.90862050588721 > 12.438841177083088 > 8.380974796874835 > 193.91 > 186.03710000000007 > 23 > 0 > 4.59e-01 g/l > erythromycin; stearic acid > 0 > DBSALT001221 > Erythromycin stearate > DB00199 > Erythromycin > 643-22-1 > LXW024X05M $$$$