HMDB0013821 RDKit 3D 2-Methyl-4-heptanone 25 24 0 0 0 0 0 0 0 0999 V2000 3.5318 0.6687 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 0.6844 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6523 -0.7378 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.8257 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -0.7014 -1.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 -1.0619 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 0.2102 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0959 0.6911 -1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9386 -0.1308 1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0075 1.6519 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1451 -0.0585 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4629 0.2064 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 1.1984 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 1.2348 0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 -1.2751 -0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 -1.2018 0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 -1.5368 1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -1.7839 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1664 0.9920 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 1.1426 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5351 -0.1377 -1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9036 1.4613 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 0.7535 1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 -0.5084 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6117 -0.9354 1.7698 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 M END