5287974 -OEChem-10051720213D 20 20 0 1 0 0 0 0 0999 V2000 2.2921 1.0297 0.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1568 0.3551 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 0.6987 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2272 -0.4230 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -0.3053 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0845 -0.5670 -0.6462 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2347 -1.5497 0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7462 0.7615 -0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 1.0798 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0386 0.4393 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 1.6121 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3597 -0.2617 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4397 -1.4339 0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -1.2466 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4131 0.3560 -1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6023 -0.9750 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8028 -1.1603 1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7446 -2.5008 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 -1.7558 0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 1.5049 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 7 17 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 M END > DB03736 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NOQCSSAEKDLHCI-LURJTMIESA-N/SDF?record_type=3d > [H][C@](C)(CC1CC1)C=O > InChI=1S/C7H12O/c1-6(5-8)4-7-2-3-7/h5-7H,2-4H2,1H3/t6-/m0/s1 > NOQCSSAEKDLHCI-LURJTMIESA-N > C7H12O > 112.1696 > 112.088815006 > 1 > 20 > -9.648118590311313e-12 > 13.130749276270375 > 1 > 0 > 0 > 0 > (2S)-3-cyclopropyl-2-methylpropanal > 2.29 > 1.5739906823333332 > -1.75 > 0 > 0 > 1 > 0 > 18.01555736701552 > -7.0144971052232385 > 17.07 > 32.8681 > 3 > 1 > 1.98e+00 g/l > biotin > 1 $$$$