HMDB0054642 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/14:0/18:3(9Z,12Z,15Z)) 159158 0 0 0 0 0 0 0 0999 V2000 4.3267 6.2153 -5.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0533 6.3458 -4.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 6.1701 -3.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 5.2713 -3.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 4.2528 -2.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7663 4.4059 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 3.4405 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0455 2.0556 -0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 1.3684 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2047 0.8187 -2.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1954 0.8357 -1.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 1.4870 -3.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 2.8919 -3.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5271 3.4673 -4.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9723 3.5010 -4.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 4.3601 -2.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5728 4.5199 -2.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3062 3.3337 -2.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5587 3.2529 -2.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8362 2.2247 -1.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7400 1.1719 -1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1141 0.0586 -0.2443 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6402 0.6323 1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5755 1.5203 0.9045 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0559 2.2496 1.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5905 2.0820 3.0984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 3.1794 1.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 4.1309 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 3.6952 4.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1151 2.7911 4.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 2.5876 5.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1626 1.7009 6.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0534 0.6047 6.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 0.1455 7.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5578 -1.1498 6.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 -2.2655 7.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 -2.3436 8.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3642 -3.1029 9.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 -3.7422 9.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 -3.8381 7.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1327 -3.2583 7.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 -3.8617 7.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 -5.2386 6.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 -5.2224 5.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5717 -4.2975 4.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 -4.2997 2.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9029 -5.6584 2.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1024 -0.6235 -0.9316 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -1.9845 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3445 -2.4864 -0.8579 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2656 -2.8247 -1.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9724 -4.1009 -2.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0928 -3.8998 -3.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 -3.6786 -4.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8412 -2.6300 -5.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8707 -2.4621 -6.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -1.4841 -7.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4414 -2.0434 -6.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3961 -1.0115 -7.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -1.5593 -7.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3502 -2.0529 -5.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7887 -2.5706 -5.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 -3.0662 -4.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 5.1505 -5.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5276 6.7640 -6.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3014 6.6280 -5.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 7.4364 -3.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7697 5.7553 -3.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 6.8862 -4.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 5.1818 -2.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 3.2735 -2.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 4.4220 -2.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 5.4279 -0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 3.8041 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 1.4602 0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 1.8670 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2365 1.2613 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 0.3366 -3.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 1.2792 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -0.2404 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 0.8966 -3.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1034 1.4912 -2.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7223 3.4816 -2.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3993 2.9763 -3.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 2.7988 -5.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 4.5104 -4.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3158 2.4523 -3.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6155 3.8752 -4.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6067 3.9174 -1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6648 5.3452 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6433 5.3484 -1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 4.9786 -3.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 0.7034 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 1.5639 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9313 -0.6442 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4712 1.2036 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -0.2226 1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2203 3.7791 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 2.5635 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 4.8242 2.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8077 4.8807 2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 3.2992 4.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 4.6360 4.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 3.2118 3.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 1.7897 3.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9145 2.4213 6.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3758 3.6124 6.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 2.0113 5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 -0.0018 7.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 0.8683 7.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 0.0167 8.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6555 -1.1943 5.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -3.1961 6.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6666 -2.8845 9.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8671 -1.3545 9.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -3.1484 10.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 -4.2890 9.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1153 -3.4706 6.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 -4.9575 7.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2738 -2.2250 8.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1751 -3.3550 7.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9626 -5.7902 7.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 -5.7912 6.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5256 -4.8305 5.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4032 -6.2350 4.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 -3.2523 4.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5189 -4.6200 4.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0384 -3.9332 2.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -3.5798 2.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8454 -6.2278 2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 -5.5735 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1743 -6.2700 2.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8027 -2.2508 -2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4753 -3.1165 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3835 -4.5210 -1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2398 -4.8711 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7879 -3.0503 -2.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8482 -4.7762 -3.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4365 -4.6375 -5.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7708 -3.4842 -5.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0655 -1.6686 -4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8216 -2.9545 -4.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8844 -2.1877 -6.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 -3.4681 -7.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9158 -0.6031 -6.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9553 -1.0977 -8.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 -2.3723 -5.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2667 -2.9384 -7.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 -0.0720 -6.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 -0.7453 -8.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 -0.7737 -7.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1741 -2.3796 -7.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 -1.2826 -4.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6668 -2.9012 -5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -1.7518 -5.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8345 -3.4275 -6.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 -2.2384 -3.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4873 -3.9226 -4.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1816 -3.4493 -4.3987 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 1 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 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END