8186 -OEChem-02282013353D 34 33 0 0 0 0 0 0 0999 V2000 5.7850 -1.2492 -0.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 0.5819 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 -0.3304 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7818 -0.1877 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0968 0.4392 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 0.7218 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 -0.4681 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 -0.0958 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6201 0.3484 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 0.8073 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8466 -0.5449 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 -0.0225 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.2361 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.2338 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7218 -0.9918 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7505 -0.9750 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8111 -0.8289 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8189 -0.8535 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1242 1.1363 0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1357 1.0475 -0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 1.3658 -0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 1.3784 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3058 -1.1716 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2984 -1.0634 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 -0.7624 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3322 -0.7377 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6645 0.9236 -0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6357 1.0681 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 1.4132 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5455 1.4767 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8489 -1.1087 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7589 0.0588 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8783 -1.2581 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 0.5444 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 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 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 M END > DB04093 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KMPQYAYAQWNLME-UHFFFAOYSA-N/SDF?record_type=3d > [H]C(=O)CCCCCCCCCC > InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3 > KMPQYAYAQWNLME-UHFFFAOYSA-N > C11H22O > 170.2918 > 170.167065326 > 1 > 34 > -1.1763360960738257e-11 > 22.77324946203776 > 1 > 0 > 0 > 1 > undecanal > 4.98 > 3.875123200333333 > -4.93 > 0 > 0 > 0 > 0 > 17.929468576370276 > -6.944305999531455 > 17.07 > 53.1532 > 9 > 1 > 2.01e-03 g/l > 4'-phosphopantetheine > 1 $$$$