HMDB0010730 RDKit 3D 3-Oxotetradecanoic acid 43 42 0 0 0 0 0 0 0 0999 V2000 6.1954 0.5342 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9979 -0.2715 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5801 -1.1412 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -1.9957 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -1.1945 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 -0.2734 0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 0.5185 0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -0.4294 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8364 0.3382 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 1.2510 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5511 1.9918 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5803 0.9726 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7059 0.4745 -1.3665 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4991 0.5517 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 -0.4559 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3003 -0.9649 1.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3803 -0.8726 -0.9982 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3415 1.3670 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 -0.0753 -0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0553 0.9377 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 0.4148 -1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3363 -0.9041 -1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -1.8363 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 -0.5238 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6653 -2.6303 -0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 -2.6203 0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 -0.6147 -1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -1.9531 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 0.5012 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4045 -0.7605 1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8148 1.1001 -0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2315 1.2714 1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 -0.9809 0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3491 -1.1562 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6536 -0.3561 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5936 0.9372 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6719 0.6130 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5509 1.9756 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9017 2.6214 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 2.5903 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8821 0.1241 1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0033 1.4412 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0203 -0.5169 -1.6923 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 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 14 41 1 0 14 42 1 0 17 43 1 0 M END