90255 -OEChem-10051719473D 41 40 0 0 0 0 0 0 0999 V2000 -0.4084 2.5208 0.2895 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 1.5752 -0.4718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 0.6514 0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5872 -1.1347 0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3798 -1.6655 -1.0222 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 -3.2271 1.7639 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 3.3747 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 2.9191 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 2.9158 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 1.9716 0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 1.1009 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5223 -0.3332 -0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -0.2823 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0752 -1.6665 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6347 -2.4909 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 -3.2936 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1359 -2.9359 -1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 3.3113 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3768 4.4098 -0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6559 3.5668 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 2.9652 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9092 3.9415 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9359 2.8671 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 1.9879 1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 2.2779 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 1.1457 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 1.7272 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5383 -0.7048 -0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2946 -0.3827 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 -0.0011 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1252 -0.2750 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7001 -2.4031 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -1.9293 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4081 -2.5535 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -2.8851 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6212 -4.3412 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 -2.8758 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3891 -2.8785 -2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7624 -3.7016 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0791 -3.2050 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 -3.7476 2.2406 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 11 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 M END > DB02042 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SLNYBUIEAMRFSZ-UHFFFAOYSA-N/SDF?record_type=3d > COCCOCCOCCOCCOCCO > InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3 > SLNYBUIEAMRFSZ-UHFFFAOYSA-N > C11H24O6 > 252.3047 > 252.1572885 > 6 > 41 > -7.339258672136381e-09 > 29.332112110337 > 1 > 1 > 0 > 0 > 2,5,8,11,14-pentaoxahexadecan-16-ol > -0.42 > -0.7534546103333334 > -1.78 > 0 > 0 > 0 > 0 > 15.121155523152114 > -2.7458065741732653 > 66.38000000000001 > 63.478800000000014 > 14 > 1 > 4.22e+00 g/l > biotin > 0 $$$$