5910 -OEChem-10051719293D 31 32 0 1 0 0 0 0 0999 V2000 -2.0773 1.8281 0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8461 0.6046 1.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -0.7151 0.4821 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 0.9564 -0.3677 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4831 0.1312 0.1415 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8570 -0.5212 0.2559 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5350 -0.5651 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.5317 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3913 -1.1849 -1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 0.6636 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 -0.1059 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8293 -1.6450 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 0.9138 -0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -0.0373 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -1.8550 1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0912 0.2110 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 -1.2265 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 -0.3854 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 -1.6509 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0791 2.2649 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 1.6162 -1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 -2.0580 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -0.5054 -1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9631 -2.2109 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5337 -0.8086 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1074 -2.3011 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 1.6265 -1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7202 -0.3091 1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0310 2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 -1.6459 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2677 -2.7273 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 11 13 2 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END > DB01085 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QCHFTSOMWOSFHM-WPRPVWTQSA-N/SDF?record_type=3d > CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O > InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 > QCHFTSOMWOSFHM-WPRPVWTQSA-N > C11H16N2O2 > 208.2569 > 208.121177766 > 2 > 31 > 0.18896039642523255 > 22.339274635707056 > 1 > 0 > 0 > 1 > (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one > 1.15 > 0.949751419333334 > -2.00 > 0 > 0 > 2 > 0 > 6.367328729786709 > 44.120000000000005 > 56.53419999999999 > 3 > 1 > 2.07e+00 g/l > biotin > 0 $$$$