HMDB0062332 RDKit 3D N-Docosahexaenoyl GABA 69 68 0 0 0 0 0 0 0 0999 V2000 10.4204 1.4559 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2450 0.5488 1.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 1.3055 1.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9397 1.0948 1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 0.0538 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5707 0.7254 -1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5081 0.4872 -1.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 -0.4774 -1.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3931 -1.5229 -2.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4204 -1.9374 -3.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0231 -1.5026 -3.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 -0.3737 -2.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 -0.4040 -1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1481 0.8438 -0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2968 1.0270 -1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1537 1.0618 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8819 0.9390 1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5988 -0.2653 1.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3349 -1.0244 0.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 -2.2021 1.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5256 -2.1712 1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9572 -2.0722 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5519 -3.0211 -0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7184 -1.1177 -0.4523 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 -0.0837 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9204 0.9771 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3981 2.0734 0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3309 1.5041 1.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2955 0.8302 1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1328 1.7124 2.9144 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2071 2.1104 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3152 0.8123 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6345 2.1310 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2317 -0.3371 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5234 0.1372 2.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9766 2.1159 2.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0703 1.7590 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2578 -0.8010 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8944 -0.4107 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 1.4629 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3109 1.0085 -2.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5944 -0.8827 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.0830 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3662 -2.1121 -2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6903 -2.8050 -3.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3606 -2.3971 -3.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 -1.3640 -4.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9428 0.6226 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1368 -1.3726 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6755 1.7269 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 0.7919 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6238 1.1325 -2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 1.2002 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 0.8442 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3572 1.8292 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5061 -0.5096 2.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4457 -0.8005 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5844 -3.0999 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8313 -2.2952 2.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8889 -3.1365 1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9435 -1.3792 1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8198 -2.7874 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8732 -0.5622 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3673 0.4215 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1860 1.3793 -1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7791 0.5463 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5192 2.4779 1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9065 2.8485 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4626 1.1473 3.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 2 3 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 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 19 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 23 62 1 0 25 63 1 0 25 64 1 0 26 65 1 0 26 66 1 0 27 67 1 0 27 68 1 0 30 69 1 0 M END