5311356 -OEChem-10051722053D 59 64 0 1 0 0 0 0 0999 V2000 -0.6973 1.5741 0.9388 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5198 3.7592 -0.2305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 0.7055 -0.2726 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0908 -0.4599 -0.0932 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6987 -1.8155 0.8052 N 0 0 2 0 0 0 0 0 0 0 0 0 5.3000 -0.2270 0.4149 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8235 0.3998 0.7595 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1093 0.3863 -0.0813 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3868 -1.1052 -0.4586 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1525 1.7677 1.0257 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0468 -0.4165 2.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 -0.2072 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 -1.7411 -1.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5947 -1.8262 1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 -1.2355 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6183 2.9057 0.0804 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0136 1.3250 -1.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5423 0.4689 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3133 2.4664 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6921 -1.6630 -1.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2401 -3.1550 0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 0.0602 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5395 -1.0301 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -0.0624 -0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0581 0.5386 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -0.1965 -0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 0.2906 1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1384 -0.9917 -1.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5896 -0.5151 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9533 0.7497 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2968 -1.1307 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 2.0964 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7644 0.1195 2.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 -0.5053 2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 -1.4842 -2.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2448 -2.8340 -1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 -2.4805 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -2.2419 2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3469 3.5235 0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 1.0893 -2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 3.1388 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 -2.4644 -2.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4947 -3.8641 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0811 -3.1332 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 -3.5510 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4055 -1.3860 -1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 4.0366 0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -1.1074 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -0.0170 -1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2105 1.5957 0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 0.5289 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0231 0.8378 -1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1637 -0.6650 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9255 0.2153 2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5087 1.3476 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9748 -2.0548 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 -0.9202 -2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3540 -0.0924 1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4413 -1.5618 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 2 47 1 0 0 0 0 3 22 1 0 0 0 0 3 24 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 21 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 16 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 22 2 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END > DB09209 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GPFAJKDEDBRFOS-FKQDBXSBSA-N/SDF?record_type=3d > [H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O > InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1 > GPFAJKDEDBRFOS-FKQDBXSBSA-N > C23H30N2O4 > 398.4953 > 398.220557458 > 6 > 59 > 1.1668833297544863 > 43.75949453006663 > 1 > 1 > 0 > 1 > (1S,5R,13R,14S,17R)-4-methyl-10-[2-(morpholin-4-yl)ethoxy]-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol > 1.09 > 1.1430953536666657 > -2.91 > 0 > 1 > 6 > 1 > 13.782739243212264 > 9.190902538762007 > 54.400000000000006 > 111.6983 > 4 > 1 > 4.89e-01 g/l > biotin > 0 $$$$