HMDB0002368 RDKit 3D Nervonic acid 72 71 0 0 0 0 0 0 0 0999 V2000 -10.6475 0.4072 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1068 -0.3621 -1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5990 -0.6089 -0.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8495 0.6772 -0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3419 0.4955 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7333 -0.2318 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3003 -0.4977 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 -1.4670 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9597 -1.2252 0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 -0.9590 1.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5878 -0.8765 1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9852 0.4954 1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 0.5315 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -0.4728 1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 -0.4184 1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 -0.6861 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 -0.6772 -0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 0.5355 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4843 1.2819 0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1868 0.5331 1.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5161 -0.0609 1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 0.9556 0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8137 0.2829 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6642 -0.6500 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5718 -0.7593 -1.4176 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7916 -1.3870 -1.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0026 1.4049 -0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5534 -0.1101 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8825 0.5108 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5679 -1.3779 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3394 0.1319 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3205 -1.1081 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4809 -1.2642 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9848 1.3158 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1802 1.2554 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0743 0.2748 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9645 1.5899 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0131 0.3814 -2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3214 -1.1866 -2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7473 0.5145 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0046 -0.8592 -2.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2798 -2.4757 -1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6609 -1.7176 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9968 -1.3385 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2994 -0.7944 2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0297 -1.5603 1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2718 -1.2051 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5115 1.2952 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 0.7628 2.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 0.2910 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8493 1.5611 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 -0.3741 2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9799 -1.5091 1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 0.4394 1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2172 -1.3388 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3636 0.0816 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4092 -1.6577 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 -1.0452 -1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9408 -1.5242 -0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 1.2952 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0788 0.3910 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6553 1.8680 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2178 2.1057 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5791 -0.2718 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3941 1.2611 2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9386 -0.4738 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3486 -0.9111 0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6649 1.6526 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1517 1.6046 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2660 -0.2394 1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5434 1.0978 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4491 -0.9188 -1.8054 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 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 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 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 19 63 1 0 20 64 1 0 20 65 1 0 21 66 1 0 21 67 1 0 22 68 1 0 22 69 1 0 23 70 1 0 23 71 1 0 26 72 1 0 M END