25137844 -OEChem-10051719093D 30 32 0 1 0 0 0 0 0999 V2000 2.5388 1.3731 0.3533 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2115 -0.8117 -0.3408 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1258 -0.3789 -0.9177 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 0.2575 -0.3179 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5365 0.2475 1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 -0.0228 -1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 1.2207 0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 -1.1591 1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6633 0.7836 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9893 -1.5207 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 1.5464 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3712 -0.4258 0.4091 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5851 -1.1098 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 0.4911 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9053 0.8521 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4383 -0.8345 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 2.2479 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 1.2187 1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -1.1735 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 -1.9057 1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 0.5387 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8277 1.6200 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 -2.3754 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9824 -1.8568 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3195 1.5973 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4889 2.4642 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 -0.7463 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 -0.8493 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4564 -2.1977 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5038 -0.8595 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 M END > DB00185 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WUTYZMFRCNBCHQ-LHIURRSHSA-N/SDF?record_type=3d > CC1O[C@@]2(CS1)CN1CCC2CC1 > InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8?,10-/m1/s1 > WUTYZMFRCNBCHQ-LHIURRSHSA-N > C10H17NOS > 199.313 > 199.103084861 > 2 > 30 > 0.9751865609167522 > 21.877049908985107 > 1 > 0 > 0 > 1 > (2R)-5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolane] > 1.46 > 0.996406311666666 > -1.92 > 0 > 1 > 3 > 1 > 8.594400747003007 > 12.47 > 55.92209999999999 > 0 > 1 > 2.41e+00 g/l > biotin > 1 $$$$