9584748 -OEChem-10051720213D 25 25 0 1 0 0 0 0 0999 V2000 -1.4468 -1.2690 1.5264 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9571 -2.3963 -0.9302 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9943 -0.0345 0.7439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 0.7150 -1.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4009 -0.4119 0.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 3.0495 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 2.1929 -0.3883 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0109 -0.4937 0.4098 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2009 -1.4108 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2653 -1.4807 -0.0815 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2372 0.7255 0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 -0.1165 -0.2051 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9749 1.0107 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 -0.0802 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 -1.0821 -1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6248 -2.4242 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 -1.8664 0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 0.5107 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9221 1.5643 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 0.0178 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9076 -0.6764 2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5283 -3.2640 -0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4762 0.7937 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 0.9955 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 3.8933 -0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 24 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 M END > DB03739 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WASIBXJFRXJWAR-GKQOBJDDSA-N/SDF?record_type=3d > [H][C@@]1(O)C[C@@](O)(C\C(=N/O)[C@@]1([H])O)C(O)=O > InChI=1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/b8-3+/t4-,5-,7+/m1/s1 > WASIBXJFRXJWAR-GKQOBJDDSA-N > C7H11NO6 > 205.1653 > 205.058637089 > 7 > 25 > -1.0045785802739768 > 18.051230089490435 > 1 > 5 > 0 > 0 > (1S,3R,4R,5E)-1,3,4-trihydroxy-5-(hydroxyimino)cyclohexane-1-carboxylic acid > -2.21 > -2.0457700926666664 > -0.33 > 0 > -1 > 1 > -1 > 9.317628425229772 > 3.3253239251769857 > -3.248799212601526 > 130.58 > 42.5191 > 1 > 1 > 9.56e+01 g/l > tetrahydrofolic acid > 0 $$$$