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-0.1669 0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8233 1.3732 3.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3124 0.5195 3.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 1.9013 2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0992 -0.4969 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1897 2.6847 0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6773 1.8512 -0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5668 2.4431 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0537 1.6428 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 4.5246 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1487 1.3038 -3.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9819 -0.3723 -3.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5790 -0.9863 -1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7752 4.2492 -1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8989 5.1897 -2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5724 3.6164 -1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5489 4.6714 -2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7275 2.9159 -3.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3030 3.4917 -2.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3166 -0.2492 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6698 1.9755 -1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2612 1.5535 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 2.2682 -3.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3701 2.4117 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 2.5291 -2.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8849 -0.3594 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3673 -0.1777 -3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 1.8819 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 3.6712 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2158 3.5915 3.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0027 2.2670 4.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2097 0.2307 3.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6227 0.3477 1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6970 1.6302 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4916 0.1335 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 2.8875 5.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 2 0 0 0 0 2 36 1 0 0 0 0 2 42 1 0 0 0 0 3 36 1 0 0 0 0 3 45 1 0 0 0 0 4 39 1 0 0 0 0 4108 1 0 0 0 0 5 44 1 0 0 0 0 5110 1 0 0 0 0 6 46 1 0 0 0 0 6113 1 0 0 0 0 7 47 2 0 0 0 0 8 48 1 0 0 0 0 8117 1 0 0 0 0 9 30 1 0 0 0 0 9 34 1 0 0 0 0 9 86 1 0 0 0 0 10 43 1 0 0 0 0 10 47 1 0 0 0 0 10107 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 52 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 15 28 1 0 0 0 0 16 22 1 0 0 0 0 16 27 1 0 0 0 0 16 53 1 0 0 0 0 17 23 1 0 0 0 0 17 26 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 22 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 29 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 30 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 27 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 30 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 80 1 0 0 0 0 31 33 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 0 0 0 0 33 35 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 37 91 1 0 0 0 0 38 39 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 39 43 1 0 0 0 0 39 94 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 40 99 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 41100 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42101 1 0 0 0 0 43102 1 0 0 0 0 44 46 1 0 0 0 0 44103 1 0 0 0 0 45104 1 0 0 0 0 45105 1 0 0 0 0 45106 1 0 0 0 0 46 48 1 0 0 0 0 46109 1 0 0 0 0 47 49 1 0 0 0 0 48111 1 0 0 0 0 48112 1 0 0 0 0 49114 1 0 0 0 0 49115 1 0 0 0 0 49116 1 0 0 0 0 M END > DB14932 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CHMRTBYTCBDIRG-JQZMMWJVSA-N/SDF?record_type=3d > CO[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(=O)N[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1 > InChI=1S/C39H68N2O8/c1-22(2)9-8-10-23(3)28-13-14-29-27-12-11-25-19-26(15-17-37(25,5)30(27)16-18-38(28,29)6)41-36(47)39(48-7)20-31(44)33(40-24(4)43)35(49-39)34(46)32(45)21-42/h22-23,25-35,42,44-46H,8-21H2,1-7H3,(H,40,43)(H,41,47)/t23-,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,37+,38-,39-/m1/s1 > CHMRTBYTCBDIRG-JQZMMWJVSA-N > C39H68N2O8 > 692.979 > 692.497567158 > 8 > 117 > 81.47152163928271 > 0 > 6 > 0 > 0 > (2R,4S,5R,6R)-N-[(1R,3aS,3bR,5aS,7R,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-5-acetamido-4-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide > 4.33 > 4.532968017333337 > -5.66 > 1 > 5 > 0 > 13.161035648116483 > 12.63191068006113 > -1.342654404613787 > 157.58 > 186.7567 > 12 > 0 > 1.53e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$