70931 -OEChem-10051719583D 44 43 0 0 0 0 0 0 0999 V2000 -1.3150 -2.4104 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -2.4117 0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6801 0.0251 -0.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6798 0.0224 0.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 2.3705 1.2437 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8472 2.3664 -1.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7511 -3.5791 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 -3.5806 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7251 -2.3671 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7205 -2.3712 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2673 -1.1016 -0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2653 -1.1071 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 1.2439 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1391 1.2387 0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 2.4063 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4823 2.4025 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 3.4279 1.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 3.4250 -1.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 -3.5700 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 -4.4736 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9424 -3.5711 -1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 -4.4757 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1879 -3.2451 -0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9445 -2.3649 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 -3.2499 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -2.3688 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3568 -1.0661 -0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0092 -1.0845 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3547 -1.0731 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 -1.0890 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 1.2729 -1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2257 1.3049 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 1.2686 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2273 1.2982 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8018 3.3533 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3884 2.3203 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 3.3487 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 2.3186 0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 3.3540 3.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 4.3980 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 3.3438 1.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 3.3508 -3.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 4.3945 -1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 3.3431 -1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 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 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 M END > DB02580 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DMDPGPKXQDIQQG-UHFFFAOYSA-N/SDF?record_type=3d > COCCOCCOCCOCCOCCOC > InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3 > DMDPGPKXQDIQQG-UHFFFAOYSA-N > C12H26O6 > 266.3312 > 266.172938564 > 6 > 44 > 7.82527503166112e-11 > 31.57076844021627 > 1 > 0 > 0 > 1 > 2,5,8,11,14,17-hexaoxaoctadecane > -0.12 > -0.11032810666666658 > -2.10 > 0 > 0 > 0 > 0 > -3.3636221017871124 > 55.38000000000001 > 68.23000000000002 > 15 > 1 > 2.13e+00 g/l > biotin > 0 $$$$