3182 -OEChem-10051719203D 32 33 0 1 0 0 0 0 0999 V2000 -3.3179 1.1089 -0.9195 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 -2.1267 0.5916 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1311 -1.0015 -1.0145 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0999 -0.7497 -0.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 0.7864 0.6303 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 0.8879 -0.2366 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 -1.4614 0.0071 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5745 2.3868 0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 0.1499 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1751 0.1844 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1578 1.1517 0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 -0.1204 -0.2485 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5827 -1.2416 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6749 2.1316 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9331 -0.4545 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3568 -0.7650 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4005 1.9835 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3909 -2.8501 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9855 -0.7127 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6895 0.9006 1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 -0.7592 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 2.8733 0.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 -0.0988 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1908 -1.7182 0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4028 1.6186 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4606 2.6323 0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 2.5537 -1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5943 -3.5601 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 -2.9789 0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 -3.0575 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8804 0.8994 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9649 -1.4107 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 31 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 32 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 14 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END > DB00651 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KSCFJBIXMNOVSH-UHFFFAOYSA-N/SDF?record_type=3d > CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O > InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 > KSCFJBIXMNOVSH-UHFFFAOYSA-N > C10H14N4O4 > 254.2426 > 254.101504956 > 5 > 32 > -1.229820145639574e-07 > 24.651239767243055 > 1 > 2 > 0 > 0 > 7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione > -0.98 > -1.8660825456666665 > -1.25 > 0 > 0 > 2 > 0 > 15.626861581113525 > 13.89859721732757 > -1.2545860960074133 > 98.89999999999999 > 62.086 > 3 > 1 > 1.43e+01 g/l > tetrahydrofolic acid > 0 $$$$