Mrv1909 05201914532D 92 99 0 0 1 0 999 V2000 7.8339 -4.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8248 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5347 -3.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1058 -3.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0967 -2.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3777 -2.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3686 -1.6044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0812 -1.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1052 -0.3506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9615 -0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7858 -0.4617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9316 -1.2927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2923 -1.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4242 -2.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 -1.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3711 -1.0868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0032 -1.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3321 -2.4700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7733 -3.1021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9670 -2.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -3.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0139 -3.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8317 -4.0992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7636 -4.9620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3494 -5.7129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6999 -6.4848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5221 -6.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8743 -7.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2336 -7.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3872 -7.1194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6702 -7.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8249 -7.7484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4399 -8.5037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8993 -9.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5356 -9.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9951 -10.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6314 -11.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0908 -12.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8082 -11.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6061 -8.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -7.8731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2993 -7.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6594 -7.0438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8289 -7.2137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5796 -8.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 -8.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2555 -6.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 -5.7927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1893 -4.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2367 -4.1296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5860 -3.5862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8157 -3.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6865 -4.6964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 -4.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -5.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 -6.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0166 -6.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7048 -2.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -2.4449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9291 -1.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6281 -1.2003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6472 -0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3688 0.0707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3642 0.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1385 -2.9902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9110 -2.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 -3.8025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6650 -4.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 -5.6283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5860 -4.8438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 -6.2319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6908 -6.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5134 -7.1228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0591 -6.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 -7.0630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6827 -6.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0426 -6.3482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2209 -6.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5069 -5.6702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1408 -4.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 -3.4749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2116 -3.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1541 -2.6773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7199 -2.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2413 -0.2484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8834 0.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7559 1.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3981 1.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1677 1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2706 2.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4604 0.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3437 0.8684 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 1 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 16 15 1 0 0 0 0 16 17 1 1 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 1 0 0 0 25 24 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 30 29 1 0 0 0 0 30 31 1 6 0 0 0 32 31 1 6 0 0 0 32 33 1 0 0 0 0 33 34 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 37 39 1 0 0 0 0 33 40 1 0 0 0 0 41 40 1 0 0 0 0 41 42 1 6 0 0 0 43 42 1 6 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 0 0 0 0 44 47 1 0 0 0 0 48 47 1 0 0 0 0 48 49 1 6 0 0 0 50 49 1 6 0 0 0 50 51 1 0 0 0 0 51 52 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 55 57 1 0 0 0 0 51 58 1 0 0 0 0 59 58 1 0 0 0 0 59 60 1 6 0 0 0 61 60 1 1 0 0 0 7 61 1 0 0 0 0 61 62 1 0 0 0 0 63 62 1 0 0 0 0 9 63 1 0 0 0 0 63 64 1 1 0 0 0 65 59 1 0 0 0 0 65 66 1 6 0 0 0 67 65 1 0 0 0 0 50 67 1 0 0 0 0 67 68 1 1 0 0 0 69 48 1 0 0 0 0 69 70 1 6 0 0 0 71 69 1 0 0 0 0 43 71 1 0 0 0 0 71 72 1 1 0 0 0 73 41 1 0 0 0 0 73 74 1 6 0 0 0 75 73 1 0 0 0 0 32 75 1 0 0 0 0 75 76 1 1 0 0 0 77 30 1 0 0 0 0 77 78 1 6 0 0 0 79 77 1 0 0 0 0 25 79 1 0 0 0 0 79 80 1 1 0 0 0 81 23 1 0 0 0 0 81 82 1 1 0 0 0 83 81 1 0 0 0 0 18 83 1 0 0 0 0 83 84 1 6 0 0 0 85 16 1 0 0 0 0 85 86 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 91 85 1 0 0 0 0 11 91 1 0 0 0 0 91 92 1 6 0 0 0 M END > DB15146 > drugbank > CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1C[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](OCC(C)O)[C@H]3O > InChI=1S/C54H94O38/c1-17(59)10-75-14-27-22-5-21(63)48(84-27)87-44-26(9-58)83-54(47(40(44)74)78-13-20(4)62)92-43-25(8-57)82-50(38(72)32(43)66)88-41-23(6-55)80-52(36(70)30(41)64)91-46-29(16-77-12-19(3)61)86-53(39(73)34(46)68)89-42-24(7-56)81-51(37(71)31(42)65)90-45-28(15-76-11-18(2)60)85-49(79-22)35(69)33(45)67/h17-74H,5-16H2,1-4H3/t17?,18?,19?,20?,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-,47-,48-,49+,50-,51-,52-,53-,54-/m1/s1 > NJWCVQBHNBLNOZ-ZRMYETLXSA-N > C54H94O38 > 1351.308 > 1350.542308587 > 38 > 186 > 129.33851728958857 > 0 > 20 > 0 > 0 > (1S,3R,5R,6S,8R,10R,11S,13S,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,47R,48S,49R)-5,20,30,35-tetrakis(hydroxymethyl)-49-(2-hydroxypropoxy)-10,15,25-tris[(2-hydroxypropoxy)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}]nonatetracontane-36,37,38,39,40,41,42,43,44,45,47,48-dodecol > -2.30 > -10.227156773333332 > -0.51 > 1 > 8 > 0 > 12.000796964026627 > 11.612361695711002 > -3.68549247086492 > 570.7400000000002 > 287.64519999999993 > 19 > 0 > 4.18e+02 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 > DB15146 > investigational > Adrabetadex > Adrabetadex $$$$