HMDB0005846 RDKit 3D Ethyl isopropyl ketone 19 18 0 0 0 0 0 0 0 0999 V2000 2.7120 0.4428 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4124 0.3057 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -0.3050 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5366 -0.6407 1.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9796 -0.5000 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -1.1346 0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4921 0.8659 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8526 -0.4595 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 0.4674 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7751 1.3830 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6185 -0.3736 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0636 1.3033 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8859 -1.0891 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3888 -0.3371 1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8058 -1.5352 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 -1.9555 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 1.6082 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8577 1.2281 -1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5412 0.7258 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 5 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 5 13 1 0 6 14 1 0 6 15 1 0 6 16 1 0 7 17 1 0 7 18 1 0 7 19 1 0 M END