HMDB0242096 RDKit 3D N-Nervonoyl Methionine 89 88 0 0 0 0 0 0 0 0999 V2000 10.1553 3.1972 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2262 2.4557 1.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9785 0.9904 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6186 0.5680 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1807 0.9898 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7897 0.4381 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 -1.0501 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2382 -1.3931 -0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 -0.7802 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 0.0940 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0223 0.6355 -1.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5511 0.2856 -1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -1.2106 -1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -1.5625 -1.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -0.9678 -0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 -1.3303 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -2.7920 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 -3.4211 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4194 -3.2126 1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7874 -1.9210 1.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7492 -1.1369 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0699 0.1321 3.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6723 1.2535 2.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0621 1.0155 2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8274 0.1515 2.5571 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5656 1.8782 1.0394 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9566 1.6494 0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9497 1.5222 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2998 1.2668 -1.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9157 -0.2972 -0.7566 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.5292 -0.6957 -1.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7122 2.8479 1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1342 3.7928 1.6404 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0675 2.9174 0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2452 2.5669 -0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3075 3.9363 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0607 3.8935 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2630 2.6049 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5651 2.9198 2.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1287 0.5700 2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7885 0.4851 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9116 0.9701 1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5805 -0.5679 1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 0.6323 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0178 2.0942 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1074 0.8256 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5137 0.8014 -1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.5023 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3158 -1.5148 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0216 -1.1160 -1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2019 -2.5148 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 -1.1031 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 0.4780 0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 1.7625 -1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 0.3448 -2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 0.7384 -2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 0.7854 -0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -1.6307 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -1.7150 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 -1.1983 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1658 -2.6737 -1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -1.4351 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 0.1204 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 -0.7135 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6895 -0.9155 -2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 -3.2936 -1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6955 -2.9809 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3821 -3.2632 0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 -4.5556 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -3.7508 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -3.9119 2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5617 -2.1635 2.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4261 -1.3808 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 -1.8234 3.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -0.9328 1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6331 -0.0492 4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0773 0.5295 3.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6228 2.2236 3.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1143 1.4994 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0042 2.6248 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3696 0.7342 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5821 2.5125 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1966 0.7806 -1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0043 2.0658 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1477 1.0975 -2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3866 -1.2686 -2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1211 0.2106 -1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0793 -1.3539 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6660 2.2107 1.2542 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 2 3 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 27 32 1 0 32 33 2 0 32 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 6 47 1 0 7 48 1 0 7 49 1 0 8 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 22 76 1 0 22 77 1 0 23 78 1 0 23 79 1 0 26 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 31 86 1 0 31 87 1 0 31 88 1 0 34 89 1 0 M END