Mrv1652312081619472D 66 67 0 0 1 0 999 V2000 3.2664 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 -0.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 -0.6455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2664 -1.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2664 -1.8830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5519 -2.2955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8374 -1.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 -1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 -2.2955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4085 -1.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -1.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3060 -0.6455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3060 0.1795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4085 0.5920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1229 0.1795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8374 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 1.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 -0.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 1.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 1.8295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3060 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 3.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7349 2.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7349 1.8295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0205 1.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4078 3.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6332 3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1913 3.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 -1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 -0.6455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4494 -1.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1639 -0.6455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1639 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 0.5920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7349 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9343 1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8784 -1.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8784 -1.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5928 -0.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 -1.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3846 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -1.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 -3.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 -3.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 -2.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0909 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4055 -0.1925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1200 0.2200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8345 -0.1925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5489 0.2200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2634 -0.1925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9779 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 -0.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9779 1.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2634 -1.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 1.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8345 -1.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 1.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4055 -1.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -0.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 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 2 0 0 0 0 7 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 2 0 0 0 0 16 18 1 0 0 0 0 3 18 1 0 0 0 0 15 19 1 6 0 0 0 14 20 1 6 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 21 26 1 0 0 0 0 25 27 1 1 0 0 0 24 28 1 6 0 0 0 23 29 1 1 0 0 0 23 30 1 6 0 0 0 30 31 1 0 0 0 0 13 32 1 1 0 0 0 12 33 1 6 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 34 39 1 0 0 0 0 38 40 1 1 0 0 0 36 41 1 1 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 35 44 1 6 0 0 0 11 45 1 6 0 0 0 11 46 1 1 0 0 0 9 47 1 6 0 0 0 6 48 1 1 0 0 0 5 49 1 6 0 0 0 4 50 1 6 0 0 0 4 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 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 2 0 0 0 0 58 60 1 0 0 0 0 57 61 1 6 0 0 0 56 62 1 1 0 0 0 55 63 1 1 0 0 0 54 64 1 1 0 0 0 53 65 1 6 0 0 0 52 66 1 0 0 0 0 M END > DBSALT001340 > drugbank > OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(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.C7H14O8/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;8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-6,8-13H,1H2,(H,14,15)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;2-,3-,4+,5-,6-/m11/s1 > ZXBDZLHAHGPXIG-VTXLJDRKSA-N > C44H81NO21 > 960.118 > 959.530108632 > 13 > 147 > 79.36188328269208 > 0 > 5 > 0 > 0 > (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid; (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 > 2.37 > 2.596388847333333 > -3.20 > 1 > 3 > 1 > 12.90862050588721 > 12.438841177083088 > 8.380974796874835 > 193.91 > 186.03710000000007 > 13 > 0 > 4.59e-01 g/l > (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid; erythromycin > 0 > DBSALT001340 > Erythromycin gluceptate > DB00199 > Erythromycin > 23067-13-2 > 2AY21R0U64 $$$$