445968 -OEChem-04091909063D 65 67 0 1 0 0 0 0 0999 V2000 5.7489 -2.2017 -2.1469 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.5144 0.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 -0.0673 1.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 0.9945 -0.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8535 0.5750 -0.4925 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0283 -0.1448 0.7967 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8114 2.4543 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 3.1312 0.3688 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4430 -1.8133 2.2089 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 -1.6635 -1.5826 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1445 -0.8933 1.4771 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2928 -0.3409 -1.3564 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 -3.0730 1.0024 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 0.0372 -1.3222 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 2.1108 2.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8776 1.4505 -3.0982 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 0.1668 0.4415 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8374 1.6203 0.6065 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5286 1.8578 -0.0377 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1673 -0.7932 0.8642 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5365 0.7895 0.3862 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7305 0.0341 -0.0183 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5537 -0.4542 0.4474 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7402 -0.6883 1.3822 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0973 -0.7861 -1.2573 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9551 0.7673 0.5435 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0225 -0.9613 0.5958 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2254 0.0760 -0.5089 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9518 0.2384 -1.3420 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3264 -1.6422 -0.9812 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5438 -2.2474 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4688 -0.8366 -0.3733 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6333 1.4668 1.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0915 1.3512 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4891 -0.0057 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8288 1.9048 1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 1.8877 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0541 -0.6895 1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7721 0.8891 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3722 -0.6625 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2968 -1.3807 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8755 0.1693 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -0.1417 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3062 1.5309 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0199 -1.9767 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5164 1.0356 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7076 -0.6908 -1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0557 -2.4637 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -2.4187 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 -2.5422 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2474 -1.5417 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 0.7431 2.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8505 2.2205 1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8445 2.2224 -0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 3.1236 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2689 2.3159 -1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9036 1.1463 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3128 -2.5853 1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 -2.2192 -0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1638 -0.0061 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0386 -1.1852 -1.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2752 -3.9922 0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 0.1647 -1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5795 2.5453 3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 2.1678 -3.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 23 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 5 29 1 0 0 0 0 6 26 1 0 0 0 0 6 32 1 0 0 0 0 7 18 1 0 0 0 0 7 54 1 0 0 0 0 8 19 1 0 0 0 0 8 55 1 0 0 0 0 9 24 1 0 0 0 0 9 58 1 0 0 0 0 10 25 1 0 0 0 0 10 59 1 0 0 0 0 11 27 1 0 0 0 0 11 60 1 0 0 0 0 12 28 1 0 0 0 0 12 61 1 0 0 0 0 13 31 1 0 0 0 0 13 62 1 0 0 0 0 14 32 1 0 0 0 0 14 63 1 0 0 0 0 15 33 1 0 0 0 0 15 64 1 0 0 0 0 16 34 1 0 0 0 0 16 65 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 31 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 30 1 0 0 0 0 25 43 1 0 0 0 0 26 33 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 34 1 0 0 0 0 29 47 1 0 0 0 0 30 32 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M END > DB01633 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BZNXZJAUEMJQJB-QSCMNUSVSA-N/SDF?record_type=3d > [H][C@]1(F)[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O > InChI=1S/C18H31FO15/c19-7-9(24)14(5(2-21)30-16(7)29)33-18-13(28)11(26)15(6(3-22)32-18)34-17-12(27)10(25)8(23)4(1-20)31-17/h4-18,20-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1 > BZNXZJAUEMJQJB-QSCMNUSVSA-N > C18H31FO15 > 506.4281 > 506.164698527 > 15 > 65 > 46.70529009568246 > 0 > 10 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4S,5R,6S)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -2.23 > -5.5831187353333345 > -0.29 > 1 > 3 > 0 > 11.920761389909199 > 10.976003176960603 > -2.9813858808886398 > 248.44999999999996 > 99.05789999999995 > 7 > 0 > 2.58e+02 g/l > CDG > 0 $$$$