11333 -OEChem-10051719183D 45 46 0 1 0 0 0 0 0999 V2000 -0.1840 0.9712 -0.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 0.5171 0.2155 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 -0.7177 -0.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -2.1292 -0.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 -1.4410 1.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8748 2.9072 -0.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4233 2.0286 0.5355 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -0.4586 1.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4784 1.1745 -2.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1288 0.8366 2.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -3.3369 -0.9386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 0.0971 -0.8048 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4695 -1.0290 0.1572 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4751 0.8429 -0.9392 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5743 -0.4343 1.0333 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1395 0.6246 -0.6340 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1071 1.6072 0.0294 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5566 1.2027 -0.2372 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7881 -0.2694 0.1056 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7478 -1.1380 -0.6101 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2663 0.4393 -2.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0348 0.3178 2.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 -2.6125 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 -0.2492 -1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6415 -1.3997 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3366 1.9303 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1999 0.7191 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 1.6781 1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 1.3784 -1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8075 -0.5649 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8431 -1.0349 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5268 -0.6233 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 0.6606 -3.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4008 1.1625 1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 -0.3545 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 -2.7856 0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 -3.0096 -0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -2.4565 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 -1.0906 2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 3.1266 -0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 2.9526 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -0.3486 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9613 0.9746 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 1.2995 3.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -2.9688 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 21 1 0 0 0 0 14 26 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > DB00581 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JCQLYHFGKNRPGE-FCVZTGTOSA-N/SDF?record_type=3d > OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1 > JCQLYHFGKNRPGE-FCVZTGTOSA-N > C12H22O11 > 342.2965 > 342.116211546 > 11 > 45 > -0.000535300147412611 > 31.483053920443872 > 0 > 8 > 0 > 0 > (2S,3R,4S,5R,6R)-2-{[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -3.26 > -4.528834963666666 > 0.36 > 0 > 0 > 2 > 0 > 12.143589745896831 > 10.279233031724532 > -2.9810835653436563 > 189.52999999999997 > 68.7741 > 5 > 0 > 7.92e+02 g/l > biotin > 0 $$$$