HMDB0053193 RDKit 3D TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 159158 0 0 0 0 0 0 0 0999 V2000 5.8703 0.2036 -7.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 0.1312 -5.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0466 -1.0800 -5.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4188 -1.1433 -4.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 -0.1301 -3.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3996 1.2536 -3.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 2.2252 -3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 2.0695 -3.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4822 2.5586 -4.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6484 3.5503 -4.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 4.4253 -3.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 4.2993 -2.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 4.0311 -1.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8155 3.8315 -1.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5286 4.8840 -1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4351 4.6692 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9158 3.3216 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4166 3.2897 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2253 3.0936 1.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8107 2.8831 2.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3236 1.5668 2.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 0.3731 2.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0951 0.4258 1.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4151 -0.8556 2.5668 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1785 -2.0964 2.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 -2.6183 2.0725 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7254 -3.9515 1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3954 -4.4038 1.2654 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 -5.6171 0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -6.2961 0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 -6.1317 0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 -4.9963 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 -4.1174 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 -3.0186 -0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 -2.2201 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8293 -0.9603 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6121 0.0204 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.2633 -1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 -0.1959 -2.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 0.1739 -2.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 -0.9860 -2.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4426 -0.8883 -3.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 0.3270 -4.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6193 0.1633 -5.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 -0.1496 -6.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -0.3412 -7.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6213 -1.4874 -8.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2765 -2.7432 3.3695 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 -2.1286 3.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -1.4237 2.9798 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5891 -2.2564 5.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 -3.4519 5.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0839 -3.7344 6.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -2.5494 6.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -2.8498 8.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6772 -2.8912 8.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7067 -2.6576 7.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -1.5050 7.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6239 -0.4186 7.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9506 -0.1974 5.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9045 0.0750 4.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8929 1.1783 4.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9211 2.2579 4.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 2.5205 3.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 3.7088 2.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 4.8923 3.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 5.3116 1.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 -0.6822 -7.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 1.1607 -7.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7989 0.3434 -7.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3166 1.0977 -5.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6511 0.0501 -6.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2111 -2.0641 -5.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 -2.1974 -3.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6231 -0.4597 -2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9922 -0.3001 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4715 1.5802 -3.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9244 3.2647 -3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 0.9041 -3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 2.2598 -2.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 2.0289 -5.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 3.7456 -6.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 5.5331 -4.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 4.4746 -4.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 4.4595 -2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9685 3.9370 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 3.6879 -2.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0029 2.8417 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2722 5.9405 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8891 5.5384 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6665 3.1824 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 2.5655 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8023 3.4350 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3297 3.0762 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7995 3.0731 2.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4207 3.6698 2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0076 1.5097 4.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4347 1.6239 2.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5179 -2.1661 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8142 -2.8429 2.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1153 -1.9401 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0914 -3.7281 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4316 -4.6805 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4198 -6.8489 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5462 -6.6680 -0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 -5.4258 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1737 -4.4486 1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 -3.6549 -0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 -4.7448 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 -3.6088 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 -2.5554 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -2.7939 1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 -0.5575 1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3408 0.6239 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 0.8930 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 -0.5119 -2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0918 -0.4303 -3.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9947 1.0572 -2.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8584 0.4359 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -1.9392 -2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -1.7989 -3.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3778 1.2708 -4.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 0.4483 -4.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 1.0794 -6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2366 -0.6909 -6.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9192 -1.0634 -5.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5492 0.6942 -5.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7448 -0.6001 -7.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 0.6024 -8.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -2.3237 -7.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6105 -1.1420 -8.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1052 -1.8722 -8.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4434 -2.3738 5.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 -1.3534 5.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1374 -3.3499 4.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 -4.3110 4.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9296 -3.7557 7.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 -4.6684 6.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4947 -2.3842 6.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -1.7002 7.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -3.0466 9.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -3.1247 9.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 -3.6091 7.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -2.6917 6.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0817 -1.5468 8.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 0.4432 7.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3862 -1.1153 5.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 0.5335 6.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 -0.6905 4.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5968 1.4008 3.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3585 2.1996 5.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5789 3.1743 4.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 1.6928 2.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 3.8087 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 5.7270 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4215 4.8904 3.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1341 5.0919 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 6.3626 1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 4.6915 1.8595 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 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 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 26 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 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 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 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 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 56142 1 0 57143 1 0 57144 1 0 58145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 62150 1 0 63151 1 0 63152 1 0 64153 1 0 65154 1 0 66155 1 0 66156 1 0 67157 1 0 67158 1 0 67159 1 0 M END