HMDB0240583 RDKit 3D Arachidonoylcholine 72 71 0 0 0 0 0 0 0 0999 V2000 9.8421 -0.0360 2.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4138 0.0163 2.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3664 -0.9966 1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0937 -1.2265 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3676 -0.1839 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8445 0.9562 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 1.2315 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 0.4768 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7113 1.3467 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5475 1.1681 -2.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 0.1086 -3.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 -0.9298 -3.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 -1.2892 -3.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0251 -0.7664 -3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 0.4006 -2.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 0.4110 -1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 -0.8205 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3819 -0.7639 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6723 0.4332 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0898 0.4579 1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4552 -0.2030 2.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 1.2070 0.3744 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3482 1.3051 0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9848 -0.0410 0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4058 -0.0125 0.8805 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.7583 1.0280 1.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1226 0.2359 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7615 -1.2813 1.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0473 -1.0748 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5163 0.2361 1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8817 0.6490 3.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4049 1.0287 1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6398 -0.0678 2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6963 -1.9896 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1543 -0.7646 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 -2.1435 -0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3897 -1.6695 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0418 0.2310 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5797 -0.7193 -0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5469 1.6456 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2714 2.1255 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6796 0.2321 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7477 -0.4417 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2196 2.2484 -0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 1.9875 -2.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8373 0.5932 -3.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8899 -0.4003 -2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 -1.6305 -4.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 -2.2386 -4.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 -1.6601 -3.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.5577 -4.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1048 1.4391 -3.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 1.3765 -0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7828 -1.7637 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 -0.8667 0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0383 -0.7328 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5785 -1.6984 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0221 0.3273 1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 1.3896 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4453 1.7821 1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7813 2.0261 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5087 -0.8046 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8877 -0.3870 -0.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1588 0.9228 2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8168 0.8429 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7158 2.0352 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2805 1.3308 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5579 -0.0730 -1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1017 -0.2716 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9877 -1.4761 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7688 -2.0917 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7117 -1.1580 2.0134 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 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 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 23 60 1 0 23 61 1 0 24 62 1 0 24 63 1 0 26 64 1 0 26 65 1 0 26 66 1 0 27 67 1 0 27 68 1 0 27 69 1 0 28 70 1 0 28 71 1 0 28 72 1 0 M CHG 1 25 1 M END