HMDB0050147 RDKit 3D TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) 167166 0 0 0 0 0 0 0 0999 V2000 7.0725 0.4562 9.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8754 0.4210 7.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4945 -0.8074 7.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1968 -0.6432 5.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7069 -1.7448 4.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1965 -3.0748 4.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4281 -3.7149 4.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 -3.0576 2.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 -2.9590 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 -3.4254 2.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -4.1530 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5467 -3.2950 -0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 -3.7247 -1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9445 -5.0617 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 -5.5045 -2.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 -5.6606 -2.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5277 -5.3735 -2.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 -6.5231 -2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7562 -6.3481 -2.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -4.9716 -2.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1893 -4.9884 -0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7879 -3.8325 -0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2859 -3.3884 0.7887 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8542 -3.0564 -0.7726 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 -1.9674 0.0130 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7473 -2.1685 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9093 -1.2012 1.5705 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2591 -1.6261 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6627 -2.7576 2.6679 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2071 -0.9055 4.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0193 -0.1562 4.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7099 -0.8863 4.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6306 0.0048 5.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3517 -0.7325 5.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 -0.1421 4.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 1.1759 4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7977 1.6367 2.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 0.9930 1.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 -0.4793 1.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -0.7392 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4075 -1.2411 -0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0642 -1.5949 -1.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 -0.7434 -2.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -1.0116 -3.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3886 -0.1221 -4.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 -0.4127 -5.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2505 -0.6279 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9877 -0.0779 -0.8614 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 1.1825 -1.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8861 1.7453 -1.8837 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4887 1.7218 -1.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 3.0430 -2.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9592 3.5487 -2.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5242 3.7879 -0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 4.2362 -0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2688 5.5544 -1.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7471 5.7265 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3407 6.9865 -1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3748 7.1429 -2.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0883 6.0024 -2.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0377 6.1372 -4.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5596 6.2043 -4.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4118 6.3687 -6.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9704 6.4997 -6.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 5.2785 -6.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 5.4327 -6.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 4.2143 -6.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 0.7720 9.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 1.2800 9.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 -0.4618 9.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8018 0.3897 7.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2891 1.3739 7.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5576 -0.8783 7.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9154 -1.6743 7.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 0.3537 5.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1091 -0.4627 5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8418 -1.4536 3.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8314 -1.8138 5.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4611 -3.5474 5.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 -4.6918 4.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4196 -2.0600 2.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -3.7726 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 -2.4262 3.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -3.3224 2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -4.0934 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8081 -5.1747 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 -2.2820 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 -3.0370 -1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1841 -5.1984 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 -5.7425 -0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -5.6986 -2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5214 -5.9745 -3.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3183 -5.1707 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 -4.5099 -2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 -7.5699 -2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 -7.2151 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 -4.9917 -2.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 -4.1347 -2.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0033 -5.7940 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5694 -5.5355 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6783 -1.8955 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9158 -3.1888 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4683 -1.8540 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0754 -0.1585 4.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5612 -1.6311 4.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1942 0.1880 5.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9145 0.8336 3.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7681 -1.8034 5.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3483 -1.1821 3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6682 0.9931 4.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 0.0265 6.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2872 -1.7823 5.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 -0.8169 4.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3683 1.7081 4.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 1.8227 4.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 2.7810 2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 1.5789 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4514 -0.7627 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8191 -1.0172 2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 -0.4839 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2207 -1.4199 -1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0744 -2.6385 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7749 -1.3839 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 -1.0396 -2.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2638 0.3312 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7986 -0.8182 -3.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -2.0570 -3.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 0.9410 -4.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 -0.3007 -5.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 0.0341 -4.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1922 -1.5093 -5.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 -0.0351 -6.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8361 0.0875 -0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 -0.6914 -1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9506 0.9954 -2.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 1.6630 -0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 2.9594 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0386 3.7956 -1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7992 4.3898 -2.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 2.6809 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7469 2.9888 -0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 4.6691 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 4.3305 0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 3.4310 -0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2609 6.4140 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 5.5951 -2.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 5.6882 0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2672 4.8269 -1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8736 7.9081 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7092 8.1770 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1731 6.1229 -2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8071 5.0141 -2.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5069 7.0816 -4.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 5.3035 -4.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 5.2981 -4.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 7.0690 -4.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9099 5.5334 -6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 7.3042 -6.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4937 7.3842 -5.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 6.5866 -7.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 5.1276 -4.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5539 4.3644 -6.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 6.3774 -6.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2407 5.5061 -7.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 3.6144 -6.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 3.5728 -5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 4.4972 -5.3998 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 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 2 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 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 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 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END