78057 -OEChem-10051719533D 43 42 0 0 0 0 0 0 0999 V2000 0.9951 -2.3776 -0.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -0.3526 0.5322 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 -1.5659 -0.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 2.1903 -0.4586 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5196 0.3658 0.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 -2.6380 0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 -3.2390 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2448 -1.6910 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2589 -2.9148 -0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8215 0.5820 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -1.1993 -1.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2881 1.9875 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 0.2436 -1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6233 3.4880 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8642 1.7061 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 3.6429 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 1.7718 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -2.4728 1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -3.6756 0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 -4.2835 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3805 -3.0790 1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5151 -1.8434 -0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1209 -1.8784 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0966 -3.5878 -0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 -3.0325 -1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 0.4193 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1126 0.4416 -0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4456 -1.3132 -2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5914 -1.8519 -1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 2.7197 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 2.1128 1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 0.5497 -1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2453 0.8908 -1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2826 3.6210 0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 4.2463 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0003 2.3605 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6888 2.0406 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 3.4995 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 2.8852 -1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 4.6340 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1424 1.1139 2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4767 1.4291 2.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 2.7925 2.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 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 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 M END > DB02343 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HYDWALOBQJFOMS-UHFFFAOYSA-N/SDF?record_type=3d > CCOCCOCCOCCOCCOCC > InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3 > HYDWALOBQJFOMS-UHFFFAOYSA-N > C12H26O5 > 250.3318 > 250.178023942 > 5 > 43 > 6.029115731118835e-11 > 30.49890204448525 > 1 > 0 > 0 > 1 > 3,6,9,12,15-pentaoxaheptadecane > 0.30 > 0.6502633109999999 > -2.27 > 0 > 0 > 0 > 0 > -3.44853354331331 > 46.150000000000006 > 66.68370000000002 > 14 > 1 > 1.35e+00 g/l > biotin > 0 $$$$