448165 -OEChem-10051719403D 45 46 0 1 0 0 0 0 0999 V2000 0.1457 -0.9704 0.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 0.6748 0.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 -0.6436 -0.6149 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8712 1.7374 1.4906 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3324 -1.0252 2.0492 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5945 -1.8129 0.6203 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8341 0.4952 -1.1011 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 2.1065 -0.3687 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 0.7539 -0.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8884 -3.1005 -1.6453 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 3.0710 -1.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2607 -0.2809 0.2322 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8215 0.6997 1.2656 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0445 -0.7235 0.0490 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3320 -1.3022 -0.1744 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1967 -1.4867 0.7015 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4931 -1.2218 -0.0637 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7408 0.2817 -0.2119 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1457 1.2952 0.7879 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4928 0.9781 -0.7721 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1091 0.1734 0.4017 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8521 -2.1938 -1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 2.4947 -0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9726 0.2921 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 0.1876 2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 -1.0847 -0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 -1.9494 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9867 -2.5595 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 -1.6947 -1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 0.7094 0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 0.6521 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 1.9496 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -0.4522 1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -1.6094 -2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 -2.7741 -1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 2.8888 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4938 2.8075 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 1.3183 1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 -0.0532 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3979 -1.6041 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5951 0.1214 -1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 2.7507 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1095 1.4932 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 -2.5769 -1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7316 2.7805 -0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 16 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 15 1 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 22 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 31 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 > DB01687 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GUBGYTABKSRVRQ-PZPXDAEZSA-N/SDF?record_type=3d > OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1 > GUBGYTABKSRVRQ-PZPXDAEZSA-N > C12H22O11 > 342.2965 > 342.116211546 > 11 > 45 > -6.614814377167016e-05 > 31.166891020582145 > 0 > 8 > 0 > 0 > (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol > -3.01 > -4.703374863666666 > 0.23 > 0 > 0 > 2 > 0 > 12.173689317234611 > 11.254374125721942 > -2.9810835652988272 > 189.52999999999997 > 68.3367 > 4 > 0 > 5.86e+02 g/l > tetrahydrofolic acid > 0 $$$$