Mrv1652308021723352D 80 82 0 0 0 0 999 V2000 3.2721 -0.9053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3544 -1.3229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9905 -0.0413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4179 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8643 -1.6142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1315 2.0026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7042 -0.4587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7622 -2.0366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0390 -1.6142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2769 1.1821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9905 0.7742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7043 -0.8908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8643 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 -0.4684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4179 3.2260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1316 -0.8762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4179 0.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4179 2.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9858 -0.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7042 3.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3592 -0.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6213 -0.9053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6072 -3.6386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5923 -2.0366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2769 2.0026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3741 -2.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0390 -0.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7819 -3.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 -0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7819 -2.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1315 1.1821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0247 -2.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8404 -0.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 -0.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6072 -2.2114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9905 3.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9905 2.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 -1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0001 -2.7502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 -1.7161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1315 -0.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5923 -0.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7091 4.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8354 0.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5442 2.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -2.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 -2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 -2.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 -1.7016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 0.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 2.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 -0.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7042 1.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3258 -4.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 -2.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 -0.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9520 2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6994 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0003 -2.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7091 1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1315 3.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -4.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8451 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 0.5267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4372 -2.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0198 -1.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 3.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 -2.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5876 -3.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8255 -2.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0001 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0394 -3.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5588 1.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 -1.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 1.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6604 -3.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 -1.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -1.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 31 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 21 1 0 0 0 0 11 10 1 0 0 0 0 12 19 1 0 0 0 0 13 1 1 0 0 0 0 14 12 1 0 0 0 0 15 20 1 0 0 0 0 16 14 1 0 0 0 0 17 4 1 0 0 0 0 18 15 1 0 0 0 0 19 1 1 0 0 0 0 20 36 1 0 0 0 0 21 2 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 8 1 0 0 0 0 25 10 1 0 0 0 0 26 34 1 0 0 0 0 27 13 1 0 0 0 0 28 26 1 0 0 0 0 29 2 1 0 0 0 0 30 26 1 0 0 0 0 31 17 1 0 0 0 0 32 35 1 0 0 0 0 33 16 1 0 0 0 0 3 34 1 6 0 0 0 35 30 1 0 0 0 0 36 37 1 0 0 0 0 37 25 1 0 0 0 0 38 42 1 0 0 0 0 24 39 1 1 0 0 0 40 12 1 0 0 0 0 41 4 2 0 0 0 0 42 29 1 0 0 0 0 43 20 2 0 0 0 0 44 33 2 0 0 0 0 6 45 1 1 0 0 0 5 46 1 6 0 0 0 8 47 1 6 0 0 0 9 48 1 1 0 0 0 16 49 1 6 0 0 0 14 50 1 6 0 0 0 25 51 1 1 0 0 0 22 52 1 1 0 0 0 18 53 1 1 0 0 0 23 54 1 1 0 0 0 32 55 1 1 0 0 0 56 33 1 0 0 0 0 57 6 1 0 0 0 0 7 58 1 1 0 0 0 40 59 1 1 0 0 0 11 60 1 6 0 0 0 15 61 1 1 0 0 0 27 62 1 1 0 0 0 63 23 1 0 0 0 0 64 25 1 0 0 0 0 31 65 1 6 0 0 0 66 62 1 0 0 0 0 67 70 1 0 0 0 0 35 68 1 6 0 0 0 36 69 1 6 0 0 0 70 40 1 0 0 0 0 71 39 1 0 0 0 0 72 39 1 0 0 0 0 42 73 1 1 0 0 0 74 54 1 0 0 0 0 75 65 1 0 0 0 0 2 76 1 6 0 0 0 10 77 1 1 0 0 0 26 78 1 6 0 0 0 12 79 1 6 0 0 0 1 80 1 6 0 0 0 22 9 1 0 0 0 0 38 24 1 0 0 0 0 6 18 1 0 0 0 0 32 23 1 0 0 0 0 M END > DBSALT001219 > drugbank > [H][C@@](O[C@]1([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C(O)=O.[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@@H]1[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H]1C > InChI=1S/C37H67NO13.C12H22O12/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;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3-10,12-20H,1-2H2,(H,21,22)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;3-,4-,5+,6+,7-,8-,9-,10-,12+/m11/s1 > NNRXCKZMQLFUPL-WBMZRJHASA-N > C49H89NO25 > 1092.233 > 1091.57236737 > 13 > 164 > 80.38295750599048 > 0 > 5 > 0 > 0 > (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoic 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 > 4 > 1 > 12.90862050588721 > 12.438841177083088 > 8.380974796874835 > 193.90999999999997 > 186.03710000000004 > 15 > 0 > 4.59e-01 g/l > erythromycin; lactobionic acid > 0 > DBSALT001219 > Erythromycin lactobionate > DB00199 > Erythromycin > 3847-29-8 > 33H58I7GLQ $$$$