HMDB0031019 RDKit 3D 2-Dodecanone 37 36 0 0 0 0 0 0 0 0999 V2000 4.2709 -1.1598 1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4688 -1.1747 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5935 0.0998 -0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 1.3065 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6769 1.2449 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 1.1087 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 1.0489 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0294 -0.0947 0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -0.0466 0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4094 -0.1366 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8244 -0.0801 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6019 -1.3400 0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3148 0.9874 0.4441 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 -0.6837 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 -2.2454 1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 -0.7010 1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 -1.9808 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -1.5091 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1127 -0.0381 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 0.2466 -0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2374 2.1821 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7967 1.5083 0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4632 0.4505 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4263 2.2138 0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 2.0404 -1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 0.2767 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 1.9874 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 0.9275 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 0.0530 1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 -1.0838 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7898 -0.8740 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 0.8950 1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3196 -1.0813 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 0.6835 -1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9209 -2.2250 0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3729 -1.4549 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0507 -1.3513 1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 M END