HMDB0007354 RDKit 3D DG(18:4(6Z,9Z,12Z,15Z)/24:0/0:0) 130129 0 0 0 0 0 0 0 0999 V2000 -12.3308 5.6386 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2258 4.6008 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2090 3.6661 0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4266 2.3744 0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7270 1.6884 -0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0380 1.0783 -0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3178 -0.1612 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4749 -1.2712 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0929 -1.1864 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1016 -1.7085 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2563 -2.4595 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8808 -3.8511 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4185 -4.6754 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1391 -4.4164 -1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7416 -4.6333 -1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6952 -3.8651 -1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4159 -4.1551 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -3.2624 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8426 -3.4737 1.8291 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8602 -2.2481 -0.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8325 -1.3876 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 -0.6423 1.5728 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3967 0.2890 1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5349 -0.4185 0.9548 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 0.1824 1.9473 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5135 -0.0079 3.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0212 -0.9335 3.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 0.7841 3.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 0.2286 3.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 0.1741 1.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 1.5379 1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3676 1.4734 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 0.8378 -0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 1.5818 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 1.0007 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1925 -0.4404 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 -1.0816 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 -0.4484 0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9453 -1.0506 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 -0.8603 -0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8705 -1.5268 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8414 -1.0390 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1733 0.3970 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 0.9708 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1557 0.3149 -1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1358 0.3813 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6051 1.5763 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3406 2.6997 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7875 3.5841 -1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5065 2.9882 -2.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1696 5.0668 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6120 6.0725 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9108 6.3834 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4370 4.2109 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2318 5.1358 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9976 4.0598 1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3914 1.7752 1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8803 1.0684 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7967 2.4573 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8509 1.8070 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4007 -0.4252 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6353 -2.1479 -0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0431 -1.7727 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8182 -0.6702 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0695 -1.5184 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5889 -1.9381 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2643 -2.2837 1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0275 -4.2769 1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2025 -5.7134 0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4859 -3.4657 -1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7277 -5.2398 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5199 -5.7463 -1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6456 -4.4691 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9660 -2.7713 -1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6918 -3.9405 -1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2221 -4.0348 0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0281 -5.2125 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9127 -1.9809 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5839 -0.6820 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4599 -1.3267 2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5568 0.8731 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1714 1.0061 0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5380 -0.5074 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 0.7965 4.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 1.8735 3.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 0.8739 3.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0548 -0.7993 3.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5199 -0.5363 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 -0.2337 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 2.2018 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8435 2.0577 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3996 0.7607 -0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 2.4523 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6242 -0.2271 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 0.8394 -1.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 1.5493 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 2.6656 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4244 1.1600 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 1.6274 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4367 -0.9670 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -0.5770 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 -2.1528 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8202 -0.8590 -1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5918 0.6573 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2053 -0.6140 1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6093 -0.5064 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8826 -2.1225 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5005 0.1918 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8515 -1.4156 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2022 -1.4939 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6821 -2.6059 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7519 -1.7010 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4358 -1.2964 1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2143 0.9669 0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7502 0.6045 1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1867 0.7877 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8886 2.0674 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8418 -0.8179 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4419 0.5090 -2.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0890 -0.1353 -0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8547 -0.4372 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3062 1.1876 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7559 2.0668 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6604 3.4379 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4013 2.3715 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5143 4.4500 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8354 4.0674 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1091 2.0932 -2.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7941 3.7127 -3.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4170 2.8312 -2.7981 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 0 10 11 1 0 11 12 1 0 12 13 2 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 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 21 78 1 0 21 79 1 0 22 80 1 1 23 81 1 0 23 82 1 0 24 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 50130 1 0 M END