440950 -OEChem-10051719403D 66 68 0 1 0 0 0 0 0999 V2000 -1.0217 0.4364 0.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 0.0407 1.2472 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6919 -1.0986 -0.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8861 -0.5269 -0.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9991 -0.0208 0.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8817 -2.4627 -0.0898 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9476 -3.2132 0.2458 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9754 1.5356 -1.6129 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3841 1.8078 2.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1158 0.9672 1.5647 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 0.4874 -1.2789 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7904 2.0606 -2.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 2.9832 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5285 1.5363 -0.1353 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8012 -2.3585 2.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9654 -1.3380 -3.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 -0.1999 0.4220 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8803 -1.6667 0.5457 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4710 -1.9193 -0.1229 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1515 0.7240 0.8519 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5088 -0.8848 0.3123 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7138 -0.1698 -0.1047 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5501 0.4721 0.4746 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0765 0.6711 -1.3288 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9358 -0.9335 0.4109 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7183 0.7102 1.4313 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0044 1.0311 0.6696 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2459 0.0260 -0.4567 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3291 1.5096 -1.0729 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9877 -0.1449 -1.3112 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4979 2.1924 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4530 0.6623 -0.4765 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6275 -1.6879 1.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 -1.2287 -2.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5111 0.0032 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -1.9770 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3651 -1.9206 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0819 0.5894 1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 -1.0161 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 0.5144 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2791 1.4052 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2018 0.0346 -2.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2856 -1.6616 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8642 -0.1600 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 2.0561 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5529 -0.9374 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0965 2.3562 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7294 0.7912 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 2.3936 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 2.4935 1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8368 -0.0590 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 -0.9971 2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 -2.4313 1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 -2.2073 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0534 -3.2314 1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 -2.2007 -1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -0.9882 -3.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 2.1128 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2439 2.5905 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1501 0.0711 1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0466 1.3355 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0011 1.3241 -2.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 3.9123 0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3403 1.0014 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5835 -2.8283 2.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0994 -2.0366 -3.7738 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 > DB01697 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FYGDTMLNYKFZSV-CSHPIKHBSA-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-CSHPIKHBSA-N > C18H32O16 > 504.4371 > 504.169034976 > 16 > 66 > -8.102550319180806e-05 > 47.52462358636092 > 0 > 11 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,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 $$$$