HMDB0044186 RDKit 3D TG(16:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -2.7539 8.1869 -3.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 7.2696 -3.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 7.8017 -3.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 7.2096 -3.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 5.8920 -2.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 4.9361 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 4.2982 -2.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 4.3742 -1.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1351 4.8697 -1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 4.1283 -1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9353 2.7945 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3777 2.6631 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1475 1.2434 1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 0.9740 2.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1818 -0.4997 3.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4912 -0.7530 4.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1501 -2.1626 5.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7102 -2.4253 4.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -1.4786 4.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -3.6133 5.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5946 -3.5903 4.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4366 -3.6072 3.3599 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3099 -2.9065 2.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 -3.4312 2.8906 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -2.6597 2.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6272 -1.5624 1.7106 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4079 -2.9211 2.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -3.3666 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6442 -4.6780 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4185 -5.0181 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2259 -4.0609 -1.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8207 -4.0945 -2.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3841 -3.2057 -3.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0597 -3.1616 -4.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4527 -2.5881 -4.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4352 -1.1363 -4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7968 -0.5546 -4.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7464 -1.2420 -3.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1289 -0.5807 -3.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0405 -1.2845 -2.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1376 -2.7339 -2.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 -4.8654 2.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9028 -5.2756 2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 -4.4372 2.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 -6.6020 1.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2281 -6.8793 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -6.0361 -0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0199 -4.6753 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -3.6266 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 -3.5078 -1.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2696 -2.7406 -2.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 -1.5687 -2.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7841 -1.1171 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -1.0500 -1.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3752 0.0063 -1.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 1.3207 -1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6784 1.6218 0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 2.9807 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9962 3.2732 1.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6418 4.6223 2.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 4.7637 2.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 6.1352 3.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 6.2872 3.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7106 7.6019 -3.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4529 8.4601 -2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0298 9.0716 -3.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9624 6.2645 -3.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 7.3248 -5.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3055 8.7836 -4.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5899 7.6374 -3.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 6.0551 -1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 5.4701 -2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1224 4.7536 -4.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 3.5987 -3.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1545 5.1084 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 3.3496 -1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 5.8790 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1213 4.5505 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 2.1615 -1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 2.2370 -0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 3.4167 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4704 2.8518 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1437 0.8666 1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 0.6208 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 1.6196 3.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5947 1.0790 2.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8694 -1.1537 2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1395 -0.6137 2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9574 -0.0363 5.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 -0.6034 4.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 -2.8809 4.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 -2.2037 6.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1647 -4.4579 5.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 -2.6687 5.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 -2.9692 3.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4913 -2.7981 1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2461 -1.8292 3.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6849 -3.6492 3.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 -1.9438 2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 -2.5834 0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1666 -3.4325 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9073 -5.4652 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5654 -4.7793 0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5149 -5.0048 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -6.0343 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8329 -4.5996 -2.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 -3.0917 -1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1054 -3.9676 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -5.1719 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3098 -2.1260 -3.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2871 -3.4709 -3.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 -2.5791 -5.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -4.1824 -5.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1814 -3.1320 -4.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7787 -2.6193 -5.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0995 -1.1508 -3.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7026 -0.5479 -5.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8023 0.5364 -4.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1579 -0.6545 -5.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3875 -1.1381 -2.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8586 -2.3141 -3.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4739 -0.6606 -4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9754 0.4914 -3.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7010 -1.1211 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0598 -0.8109 -2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7824 -2.9577 -3.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2225 -3.0443 -2.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5733 -3.3950 -2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -6.8446 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 -7.3426 2.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 -7.9692 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1097 -6.8571 1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5023 -6.5661 -0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8588 -6.0924 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 -4.5564 0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 -2.6442 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 -4.5707 -1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 -3.2181 -0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8733 -3.1372 -3.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6566 -1.0029 -3.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1181 0.0061 -1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -1.4580 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2028 -1.9618 -2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 -0.0579 -1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3725 2.0690 -1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 1.4990 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4994 0.8843 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 1.6017 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 3.7240 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8052 2.9431 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6945 2.4870 2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0788 3.1392 1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 4.7343 3.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 5.3954 1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 4.6075 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 4.0157 3.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 6.3635 4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8713 6.8817 2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1546 5.3306 3.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9084 7.0239 4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 6.6127 2.6602 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 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 22 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 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 6 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 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 41128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 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 63161 1 0 M END