HMDB0048647 RDKit 3D TG(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -5.0215 -1.1441 -1.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 -0.2572 -2.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5291 0.8226 -1.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4384 1.6780 -2.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9341 2.7673 -1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3327 2.2205 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0867 2.4361 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7842 3.2518 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 4.4716 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4838 4.7589 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6944 3.9804 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5243 4.9260 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6928 5.3780 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2884 5.0296 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6780 4.5388 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 3.3579 1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 2.2702 1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 1.0488 0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 -0.1155 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5914 -0.2664 2.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5289 -1.3804 2.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8842 -1.3825 4.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0652 -0.5220 5.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 -2.4158 4.4427 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 -2.3986 5.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 -1.1794 5.4473 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0891 -1.2656 6.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -0.3513 5.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 -0.0886 6.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -0.7111 7.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 0.9543 5.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 0.9565 6.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 2.0130 5.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 2.0862 5.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2730 0.7869 5.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7519 0.8303 5.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2623 -0.5738 5.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7228 -0.5874 5.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4695 -0.8937 4.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8685 -1.2298 2.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1985 -2.6552 2.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4937 -2.8745 1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7193 -4.2444 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9521 -4.3320 -0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1710 -5.7276 -1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7233 -1.4428 4.1118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9242 -0.5406 3.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 0.5255 3.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4266 -0.8096 1.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 -2.0420 1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -2.5603 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9943 -3.0333 -0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9442 -2.1973 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2652 -1.0475 -2.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 -0.2642 -2.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 0.8425 -3.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0671 1.4243 -4.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7058 1.0524 -3.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 0.7468 -5.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 -0.2927 -6.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6016 -0.0209 -6.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9303 -1.2059 -7.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 -0.8914 -8.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 -2.0372 -9.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7551 -1.7743 -10.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -0.8777 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6363 -2.1984 -1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 -1.2543 -2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1092 -0.8809 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3845 0.1900 -3.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3822 1.5077 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 0.3712 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 2.0342 -3.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 0.9209 -2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 3.2769 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 3.5835 -1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 1.6141 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3673 2.0308 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4303 3.4292 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6933 2.5887 -0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 5.1579 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 5.7255 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 3.0766 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2686 3.6481 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1599 5.2500 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2559 6.0672 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3990 6.0766 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 4.4011 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4899 5.2349 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1708 3.0824 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1338 2.5075 1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5024 2.0927 2.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6589 1.1110 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0359 -0.9903 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 0.5899 3.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5296 -0.7091 3.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7941 -1.2380 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0241 -2.3830 2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 -3.3132 5.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 -2.2388 6.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 -0.2710 5.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -0.9228 7.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 -2.3066 6.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4637 1.9590 5.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 0.7144 4.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 -0.0231 6.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3825 1.2892 7.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 3.0240 5.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 1.7938 4.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9816 2.8849 4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7837 2.4522 6.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8777 0.0258 6.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0546 0.4788 4.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9762 1.0954 6.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2358 1.5961 4.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9280 -1.2458 6.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7901 -1.0376 4.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1702 -0.3423 6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5751 -0.9007 4.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8474 -0.9278 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4674 -0.6000 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9122 -3.3773 3.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2806 -2.7363 2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8428 -2.1176 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4021 -2.6823 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3213 -5.0235 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7817 -4.3864 0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3335 -3.5333 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8754 -4.1590 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2121 -6.0218 -1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9888 -5.7295 -2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4018 -6.4768 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -0.7871 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 0.0570 1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7627 -1.9887 2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 -2.9003 2.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3807 -3.3981 0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4866 -1.7109 -0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3713 -3.6372 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -3.8696 -0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -1.7309 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4155 -2.8589 -2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 -1.6100 -2.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6893 -0.5216 -1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0847 -0.0263 -2.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 -1.0341 -3.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1212 1.3479 -4.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 2.3233 -4.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 1.9979 -3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 0.2783 -3.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2821 1.7085 -5.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1705 0.5038 -4.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4762 -1.2553 -5.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 -0.5344 -6.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 0.3295 -6.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 0.8078 -7.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0835 -1.4809 -8.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -2.0402 -7.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -0.5488 -7.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9108 -0.0094 -9.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 -2.1472 -10.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -3.0018 -8.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7487 -2.3479 -11.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 -0.7072 -10.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6735 -2.1256 -9.7863 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 2 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 26 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 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 2 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 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END