HMDB0031417 RDKit 3D 2,6-Dimethyl-4-heptanone 28 27 0 0 0 0 0 0 0 0999 V2000 -3.1626 -0.0961 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.8528 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 -0.2937 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8162 -0.8428 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 0.5026 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9236 1.4687 -0.2641 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 0.6915 -0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 1.0534 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 -0.0127 1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 1.1707 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1643 -0.5721 -0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3184 0.9657 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 -0.0709 -1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5737 -1.9313 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6707 -0.7223 2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4298 0.8038 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4174 -0.6330 1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2288 -1.4610 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -1.3590 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2302 1.4593 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 -0.2711 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7956 1.9979 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0932 -1.0272 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0376 0.1014 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 0.0773 1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 0.4543 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5689 2.2027 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 1.0206 0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 M END