155448 -OEChem-04171811063D 51 51 0 1 0 0 0 0 0999 V2000 2.7269 0.8015 -0.3336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 -0.8662 -0.3779 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7514 -1.9768 -0.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3047 0.7530 0.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0257 -2.7466 0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 3.4948 0.0659 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 -1.1092 0.2691 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0973 0.3204 -0.1736 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3830 -1.5311 -0.1713 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9607 1.2695 0.2139 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3441 -0.4689 0.1881 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1954 2.6791 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -0.2189 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.6727 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5221 0.0105 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8251 -0.4408 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0392 0.2199 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3752 -0.2207 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6295 0.3913 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9325 -0.1280 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1457 0.4400 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9041 -1.2173 1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2612 0.3429 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 -1.7367 -1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 1.3338 1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 -0.4061 1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1169 3.1123 0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 2.6792 -1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -0.4689 1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1089 0.8673 0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 -1.7625 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 -0.4653 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 1.0987 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5526 -0.2242 1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 -0.1901 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 -1.5309 -0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6586 -1.9163 -1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1653 0.7497 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -2.5853 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0435 -0.0131 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9513 1.3099 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4456 -1.3136 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3709 0.0166 -1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6218 0.1757 1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5874 1.4824 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 4.3850 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9791 0.1408 -1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9605 -1.2222 -0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0671 0.0595 -0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1435 0.1556 1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1626 1.5328 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 37 1 0 0 0 0 4 8 1 0 0 0 0 4 38 1 0 0 0 0 5 9 1 0 0 0 0 5 39 1 0 0 0 0 6 12 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 11 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 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 M END > DB02451 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QFAPUKLCALRPLH-UXXRCYHCSA-N/SDF?record_type=3d > CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1 > QFAPUKLCALRPLH-UXXRCYHCSA-N > C15H30O6 > 306.3951 > 306.204238692 > 6 > 51 > 35.42051878359166 > 1 > 4 > 0 > 1 > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(nonyloxy)oxane-3,4,5-triol > 1.72 > 1.2573296253333335 > -1.55 > 0 > 1 > 0 > 13.200256715324073 > 12.210987486903665 > -2.9810834105517934 > 99.38000000000001 > 77.5532 > 10 > 1 > 8.64e+00 g/l > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(nonyloxy)oxane-3,4,5-triol > 0 $$$$