449101 -OEChem-10051720233D 21 21 0 1 0 0 0 0 0999 V2000 0.7566 1.2412 -0.3022 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3513 -2.1554 0.4408 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 -0.6582 -0.4145 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 0.0741 0.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3071 1.9196 0.4331 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -0.8760 -0.1828 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8725 -0.0881 0.2163 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6453 -0.1160 0.2475 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5456 1.3676 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 -0.7088 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4052 -1.0338 -1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9806 -0.0430 1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8044 -0.2432 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 1.5117 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4034 1.9063 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1138 -0.7037 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -1.7364 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1845 2.8764 0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1724 -2.6168 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -0.1641 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2985 0.0441 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END > DB03862 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KHVCOYGKHDJPBZ-WDCZJNDASA-N/SDF?record_type=3d > OC[C@H]1ONC[C@@H](O)[C@@H]1O > InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1 > KHVCOYGKHDJPBZ-WDCZJNDASA-N > C5H11NO4 > 149.1451 > 149.068807845 > 5 > 21 > 0.001158016374390781 > 13.860715443769266 > 1 > 4 > 0 > 0 > (4R,5S,6R)-6-(hydroxymethyl)-1,2-oxazinane-4,5-diol > -1.95 > -2.2013893606666666 > 0.72 > 0 > 0 > 1 > 0 > 14.314390819399824 > 12.942457355488905 > 4.0646717044359475 > 81.95 > 42.57699999999999 > 1 > 1 > 7.83e+02 g/l > tetrahydrofolic acid > 0 $$$$