448924 -OEChem-10051720313D 66 68 0 1 0 0 0 0 0999 V2000 -0.6998 -0.5564 0.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -0.3302 -0.7093 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 -0.4942 -0.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6994 -0.3583 0.5088 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2176 1.9362 -0.1357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -2.4858 -2.3648 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 -2.4817 -2.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 -2.1005 0.5499 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0227 1.0999 -2.7818 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2707 2.6607 -1.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0839 2.1133 0.8737 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0431 -0.3937 -0.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -0.2167 3.2801 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2395 2.0845 -1.2926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2318 3.4251 1.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5706 -1.9220 2.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -1.5696 -0.1288 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4333 -2.3417 -1.1266 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8948 -1.6261 -1.3717 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4904 -1.2824 1.1421 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5789 -1.2845 -0.0461 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4322 -0.1374 0.8542 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1304 -0.2441 -0.7948 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8537 -0.6983 0.8006 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4817 1.3903 0.9662 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4819 1.1031 -1.4301 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9930 1.3319 -1.4126 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5670 1.1030 -0.0141 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6736 -0.0127 -0.2919 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1297 -0.2704 0.5073 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2703 -0.4428 2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5789 1.5096 -0.1656 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0933 2.0188 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6031 -0.5270 1.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1629 -2.1973 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2399 -3.3537 -0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -0.7244 -1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 -2.2197 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9117 -2.2020 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9402 -0.5528 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 -1.0681 -1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3473 -0.5595 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9909 1.6931 1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9607 1.9227 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 0.6558 -2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6591 1.1915 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3476 -0.3442 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5181 -1.0603 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.5403 1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1758 -0.9605 2.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0986 1.8633 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 1.8156 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 1.6749 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9601 -2.9462 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 -3.2886 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9576 -0.0376 2.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 -0.1934 2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -2.5111 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4718 0.3766 -3.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2351 2.7823 -1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 2.0539 1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 -0.1083 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 0.3178 3.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5231 2.9772 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3361 3.8035 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8778 -2.0618 3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 4 30 1 0 0 0 0 5 25 1 0 0 0 0 5 32 1 0 0 0 0 6 18 1 0 0 0 0 6 54 1 0 0 0 0 7 19 1 0 0 0 0 7 55 1 0 0 0 0 8 24 1 0 0 0 0 8 58 1 0 0 0 0 9 26 1 0 0 0 0 9 59 1 0 0 0 0 10 27 1 0 0 0 0 10 60 1 0 0 0 0 11 28 1 0 0 0 0 11 61 1 0 0 0 0 12 29 1 0 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 14 32 1 0 0 0 0 14 64 1 0 0 0 0 15 33 1 0 0 0 0 15 65 1 0 0 0 0 16 34 1 0 0 0 0 16 66 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 24 1 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 29 1 0 0 0 0 24 42 1 0 0 0 0 25 33 1 0 0 0 0 25 43 1 0 0 0 0 26 27 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 30 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 29 47 1 0 0 0 0 30 34 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 > DB04248 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FYGDTMLNYKFZSV-XJJKTWKOSA-N/SDF?record_type=3d > [H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O > InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1 > FYGDTMLNYKFZSV-XJJKTWKOSA-N > C18H32O16 > 504.4371 > 504.169034976 > 16 > 66 > -8.102550319180806e-05 > 45.257136766510804 > 0 > 11 > 0 > 0 > (2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -2.74 > -6.474210509333335 > 0.04 > 1 > 0 > 3 > 0 > 11.96130612207531 > 11.215222724145232 > -3.648377575201405 > 268.67999999999995 > 100.75 > 7 > 0 > 5.54e+02 g/l > biotin > 0 $$$$