HMDB0010733 RDKit 3D 3-Oxohexadecanoic acid 49 48 0 0 0 0 0 0 0 0999 V2000 -7.3080 1.7339 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2995 0.9181 -0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1431 0.6054 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0817 -0.2270 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9858 -0.4444 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8715 -1.2875 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7973 -1.4877 1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1674 -0.1800 1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4345 0.5364 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 -0.3622 -0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -0.7268 0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 -1.6238 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2786 -1.0769 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0054 0.1926 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4968 1.2299 -1.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3119 0.1795 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 1.5309 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0528 1.5640 0.2909 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 2.6959 -0.7009 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0627 1.0077 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7990 2.5140 -0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7979 2.1462 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8107 0.0004 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9767 1.4446 -1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5289 0.0850 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6751 1.5910 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6233 0.3915 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -1.1699 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6337 0.5336 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4033 -1.0056 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2302 -2.2988 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4907 -0.8137 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -2.2211 0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3206 -1.8882 1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 0.4799 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6409 -0.3123 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8846 1.5007 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3464 0.8226 -0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.1940 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 -1.2801 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 -1.2281 1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0666 0.2097 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -2.6031 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.9128 0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 -0.9264 -2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9446 -1.8726 -1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0785 -0.4777 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 -0.2016 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4024 3.5208 -0.1206 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 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 16 47 1 0 16 48 1 0 19 49 1 0 M END