5359271 -OEChem-10051719363D 46 50 0 1 0 0 0 0 0999 V2000 -1.3093 -1.2177 1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1251 -3.4972 -0.2247 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5953 0.2639 0.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3745 1.1124 0.6476 N 0 0 2 0 0 0 0 0 0 0 0 0 1.0199 -0.5841 0.7124 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2082 -0.8528 -0.2237 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8116 0.5396 -0.5991 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0579 -1.7583 1.0088 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5246 0.1120 1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 0.2953 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7873 1.4623 -1.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 1.3568 1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 1.2918 -0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 -2.9435 0.0142 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8055 -1.7020 -1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 -0.0824 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 -2.6434 -1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 2.0071 -1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2085 2.2883 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 0.6136 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 1.6808 -1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5781 1.3013 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6854 0.9562 0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9795 -1.4281 0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 0.3656 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 -2.1566 2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1338 -0.6013 2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 0.4020 2.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 1.2026 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 2.5172 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7254 2.1981 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8826 1.6448 2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -3.7357 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3254 -1.5747 -2.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6269 -3.2661 -2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5265 2.7984 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 3.1677 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9675 2.0879 -0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 2.5470 1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8275 2.2515 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 -3.6972 0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1572 2.2670 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9852 1.3838 -1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4623 1.7259 0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1406 -0.0054 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2889 0.8561 1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 14 1 0 0 0 0 2 41 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 24 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 17 35 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M END > DB01466 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OGDVEMNWJVYAJL-LEPYJNQMSA-N/SDF?record_type=3d > [H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O > InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1 > OGDVEMNWJVYAJL-LEPYJNQMSA-N > C19H23NO3 > 313.3908 > 313.167793607 > 4 > 46 > 0.9936009072918204 > 34.14921510172238 > 1 > 1 > 0 > 1 > (1S,5R,13R,14S,17R)-10-ethoxy-4-methyl-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 > 1.72 > 1.699759237666667 > -2.57 > 0 > 1 > 5 > 1 > 13.78273924856665 > 9.19110483902594 > 41.93 > 89.35329999999999 > 2 > 1 > 8.35e-01 g/l > biotin > 0 $$$$