HMDB0031066 RDKit 3D 16-Methylheptadecanoic acid 56 55 0 0 0 0 0 0 0 0999 V2000 -6.8068 -0.1998 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9073 0.7666 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0093 0.5572 1.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4336 0.6122 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2276 0.8113 -1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 0.7934 -1.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9539 -0.3550 -1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4556 -0.8183 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5311 -2.0322 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -1.6804 -1.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4573 -0.5278 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -0.7627 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 0.4846 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4331 0.4293 2.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3976 -0.7029 2.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4938 -0.5840 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 0.6809 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 0.6213 0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3754 -0.0578 0.4199 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 1.3084 -0.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2726 0.3070 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3691 -1.1703 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6698 -0.3928 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2575 1.7958 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2245 1.0959 2.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0441 0.8929 2.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9595 -0.5505 2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 1.3113 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1406 -0.4383 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7035 1.7817 -1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7954 -0.0179 -2.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3162 1.7714 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 0.9705 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0131 -0.1367 -2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 -1.2066 -2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1533 -1.1116 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8462 0.0179 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 -2.4450 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 -2.7906 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3567 -2.5708 -1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3348 -1.4606 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8965 0.4156 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 -0.4358 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 -1.6713 0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -0.8460 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 1.3828 0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6269 0.6696 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 0.4378 2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9936 1.3826 2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9335 -1.6956 2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8829 -0.6939 3.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1941 -1.4529 1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -0.6863 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 1.5825 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 0.7005 2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 0.9209 -1.8658 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 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 20 56 1 0 M END