8163 -OEChem-02102012063D 34 33 0 0 0 0 0 0 0999 V2000 4.7274 -1.3439 -0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.4266 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3922 -0.3302 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9856 -0.4409 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8326 0.5867 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 0.3682 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 -0.2269 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -0.5476 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 0.6605 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7955 0.2517 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 -0.1149 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 0.7107 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7745 1.0980 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7273 1.0704 -0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 -0.9481 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3522 -1.0184 -0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -1.0553 0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9226 -1.1336 -0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8315 1.2364 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7794 1.2368 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2561 0.9818 -0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3512 1.0547 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -0.8971 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1913 -0.8689 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4475 -1.2171 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5199 -1.1776 0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 1.2829 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 1.3204 0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8980 0.9071 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8259 0.8711 -1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6576 -0.4222 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9457 1.2998 -1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8116 0.0529 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9865 1.3694 0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 M END > DB08688 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KYWIYKKSMDLRDC-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCCCCCC(C)=O > InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3 > KYWIYKKSMDLRDC-UHFFFAOYSA-N > C11H22O > 170.2918 > 170.167065326 > 1 > 34 > -2.272753259588381e-13 > 22.6599784859607 > 1 > 0 > 0 > 1 > undecan-2-one > 4.25 > 3.918796310333334 > -4.16 > 0 > 0 > 0 > 0 > 19.64344776069631 > -7.270866249933756 > 17.07 > 53.0287 > 8 > 1 > 1.18e-02 g/l > 9-hydroxyminocycline > 1 $$$$