Mrv0541 02231215342D 68 71 0 0 1 0 999 V2000 3.1266 -9.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1288 -8.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -9.7563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4129 -8.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 -9.3498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -8.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -9.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5356 -9.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5378 -8.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 -9.7749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9768 -9.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2749 -8.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 -10.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 -11.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -9.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9768 -10.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 -10.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 -11.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6992 -10.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9761 -11.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7108 -12.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4034 -11.0064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4070 -11.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7109 -6.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9878 -8.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9739 -7.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2669 -7.2827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5466 -6.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 -6.0595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9783 -5.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2697 -6.8878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2719 -6.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 -5.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 -6.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9799 -6.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 -5.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 -4.8041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8528 -4.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 -4.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7066 -5.6374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6928 -4.8130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9784 -4.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8556 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9908 -3.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4137 -4.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4261 -3.5899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7074 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 -1.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8579 -2.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3136 -2.3352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1340 -4.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4093 -6.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1428 -3.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -4.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 -3.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 -8.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -7.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2668 -8.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1403 -10.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -12.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 -7.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1426 -9.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0963 -11.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7670 -12.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 -13.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 3 13 1 0 0 0 0 3 5 1 1 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 25 1 0 0 0 0 8 7 1 6 0 0 0 8 10 1 1 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 10 17 1 0 0 0 0 10 11 1 1 0 0 0 12 27 1 0 0 0 0 12 59 2 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 18 17 1 1 0 0 0 18 20 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 1 0 0 0 23 63 1 6 0 0 0 24 26 1 0 0 0 0 29 24 1 6 0 0 0 25 26 1 0 0 0 0 25 61 2 0 0 0 0 26 31 1 0 0 0 0 26 60 1 1 0 0 0 27 34 1 0 0 0 0 27 28 1 6 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 1 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 35 40 1 0 0 0 0 35 36 1 0 0 0 0 37 39 1 0 0 0 0 37 57 1 6 0 0 0 38 39 1 0 0 0 0 39 43 2 0 0 0 0 40 41 1 0 0 0 0 40 54 1 6 0 0 0 41 46 1 0 0 0 0 41 42 1 1 0 0 0 42 45 1 0 0 0 0 43 44 1 0 0 0 0 44 51 2 0 0 0 0 46 47 1 0 0 0 0 46 53 2 0 0 0 0 47 48 1 0 0 0 0 47 55 1 6 0 0 0 48 52 1 0 0 0 0 49 50 2 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 52 56 1 6 0 0 0 57 58 1 0 0 0 0 62 65 1 0 0 0 0 63 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 M END > DB01590 > drugbank > CO[C@@H]1C[C@H](C[C@H](C)C2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3CC[C@H](C)[C@](O)(O3)C(=O)C(=O)N3CCCC[C@@H]3C(=O)O2)OC)CC[C@H]1OCCO > InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34+,35-,36-,38-,39-,40+,41+,43+,44-,45?,46+,48+,49-,53-/m0/s1 > InChIKey=HKVAMNSJSFKALM-CYUZEOOHSA-N > 13 > 105.72683364095278 > 0 > 3 > 957.581356369 > 0 > C53H83NO14 > 0 > (1S,9R,15R,18R,19R,21S,23R,30S,32R,35S)-1,18-dihydroxy-12-[(2S)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone > 5.01 > 7.403864314333335 > -5.77 > 958.2244 > 1 > 4 > 0 > 13.428310667861762 > 9.963749820946393 > -2.746132005058814 > 204.65999999999997 > 261.70670000000007 > 9 > 0 > 1.63e-03 g/l > (1S,9R,15R,18R,19R,21S,23R,30S,32R,35S)-1,18-dihydroxy-12-[(2S)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone > 0 > DB01590 > approved > Everolimus > Afinitor; Certican; VOTUBIA; Zortress > Afinitor; Certican; VOTUBIA; Zortress $$$$