6918653 -OEChem-10051720483D 66 68 0 1 0 0 0 0 0999 V2000 2.8237 1.1204 1.7643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1966 1.0130 -2.5031 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 2.4748 1.4085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6311 1.0420 0.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6639 1.7019 -0.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3835 -3.0530 -0.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3008 -0.4646 0.1389 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 -3.0154 -1.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 0.8381 -0.1676 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2409 0.3964 -1.6261 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7465 1.0186 0.3471 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4067 -0.0399 1.1573 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5140 2.1417 0.0243 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3350 -0.4023 -2.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1461 0.3124 -2.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9164 2.0217 -0.5213 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9094 1.6186 -1.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5209 2.0212 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8788 -0.1164 1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5721 -1.0412 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 3.6653 1.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 0.8394 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7547 -2.3703 0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4567 -3.2340 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 -3.1131 1.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6166 -0.9996 -0.1256 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5837 -0.8484 1.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4558 -2.4527 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7856 0.6085 1.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1161 -1.6832 2.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8603 0.0499 0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9044 -0.9857 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9956 2.9757 -0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0722 -1.0487 -3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 -0.7550 -1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 0.0944 -3.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 -0.5229 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4513 2.9753 -0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 1.5046 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4257 2.4142 -2.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 1.5430 -1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1386 2.6195 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 2.7548 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1123 -0.4166 2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 0.8703 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9599 -0.5524 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 3.4601 1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 4.0686 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0984 4.4328 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6023 -1.0741 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3183 -3.7311 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 -3.9980 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 -2.6465 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 -2.5106 2.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 -3.9411 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 -3.5336 2.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0314 -0.4519 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5694 -1.2300 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0995 1.2251 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8763 1.0395 1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5696 0.6746 2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0614 -2.7486 2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8189 -1.5809 3.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1318 -1.3630 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5062 -2.4986 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6611 -3.9772 -1.3226 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 10 1 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 5 22 2 0 0 0 0 6 28 2 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 7 50 1 0 0 0 0 8 28 1 0 0 0 0 8 65 1 0 0 0 0 8 66 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 23 2 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 M END > DB05864 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QBDVVYNLLXGUGN-XGTBZJOHSA-N/SDF?record_type=3d > [H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)N[C@H](C(C)C)C(N)=O)[C@@]1(C)O[C@@H]1CC=C(C)C > InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1 > QBDVVYNLLXGUGN-XGTBZJOHSA-N > C22H36N2O6 > 424.531 > 424.257336894 > 5 > 66 > -3.615947924809346e-07 > 46.272189517289846 > 1 > 2 > 0 > 1 > (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl N-[(1R)-1-carbamoyl-2-methylpropyl]carbamate > 2.07 > 2.0686739583333322 > -3.99 > 1 > 0 > 3 > 0 > 15.48452667307439 > 13.445682278098559 > -3.5960804425701265 > 115.71 > 110.4254 > 9 > 1 > 4.39e-02 g/l > biotin > 0 $$$$