151437 -OEChem-10051720103D 32 33 0 1 0 0 0 0 0999 V2000 1.6627 0.6681 0.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6441 -1.3629 -0.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 -0.8920 -2.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7986 -1.1431 1.5096 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 3.1293 0.4854 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2211 0.4026 1.1485 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1328 0.9700 -0.9703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 0.4850 0.0590 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4830 -0.3959 -0.7402 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9725 -1.3006 0.3630 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8019 0.9414 -0.4588 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5880 -0.7391 0.6457 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6970 1.9237 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 -0.9089 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 -0.9909 1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -0.3692 -1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 -0.5273 1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.0945 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2657 0.0153 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 -0.3150 -0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -2.3571 0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 1.4057 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -0.8826 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 2.1462 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9769 1.5468 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.9429 -1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -1.6970 2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 3.4935 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8906 -1.4259 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 -0.3048 -2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1771 -0.6087 2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 0.5111 -2.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 10 1 0 0 0 0 4 27 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 M CHG 2 6 -1 8 1 M END > DB03196 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DUYYBTBDYZXISX-UKKRHICBSA-N/SDF?record_type=3d > [H][C@@]1(CO)O[C@@]([H])(OC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]1([H])O > InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1 > DUYYBTBDYZXISX-UKKRHICBSA-N > C11H13NO7 > 271.2234 > 271.069201775 > 7 > 32 > -5.632991574503017e-06 > 24.74547983294149 > 1 > 3 > 0 > 1 > (2S,3R,4R,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol > -0.09 > -0.028068467666666482 > -1.24 > 0 > 0 > 2 > 0 > 13.82589226037138 > 12.264793037135384 > -2.9811523888938494 > 122.29000000000002 > 60.54130000000001 > 4 > 1 > 1.58e+01 g/l > tetrahydrofolic acid > 0 $$$$