HMDB0055299 RDKit 3D TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 173172 0 0 0 0 0 0 0 0999 V2000 1.4915 0.7985 7.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3407 1.5877 5.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 2.7632 6.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 2.9728 6.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2799 2.0507 6.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 2.8217 5.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 2.4598 3.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 1.2534 3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5373 0.3887 2.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5009 0.1385 1.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4181 0.7200 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 1.4661 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0222 1.1343 -1.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1841 0.0622 -2.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3784 0.6800 -3.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1336 0.6975 -3.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 0.0919 -2.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9767 1.1468 -2.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 0.6497 -2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4297 -0.1242 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8841 -0.5178 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 -1.2239 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5821 -1.8115 0.2265 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -1.4699 1.7064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7748 -2.2384 2.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8429 -3.7050 2.4281 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0142 -4.5051 3.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6362 -4.5735 3.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 -5.3628 4.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 -6.0174 4.9238 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -5.3948 3.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2124 -6.0039 2.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7587 -5.8484 2.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0612 -4.4225 3.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 -3.8763 3.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1612 -3.9671 1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -3.4295 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 -4.2133 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1465 -3.8536 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5211 -2.5516 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4219 -2.6995 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -1.9821 2.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1629 -0.8414 2.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1724 0.2572 2.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1047 1.4127 2.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 1.9127 1.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 3.1765 1.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 -4.1895 1.1305 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1673 -4.8092 0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1142 -4.9410 1.5392 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 -5.3409 -0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 -4.3452 -1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6542 -5.0301 -2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4908 -4.1586 -3.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7983 -2.8862 -4.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7275 -2.0675 -4.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0228 -0.8378 -4.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4944 -0.0659 -3.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5696 0.3786 -2.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8624 1.6344 -2.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1099 2.7194 -3.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1728 3.5012 -3.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4205 4.7612 -3.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6542 5.5984 -2.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0141 6.6849 -3.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7517 6.8793 -3.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 6.0639 -2.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 5.4625 -3.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 4.6474 -3.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8539 5.4558 -2.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 4.5288 -1.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2826 -0.2118 6.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 0.7681 7.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 1.2895 7.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0712 0.8719 5.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 1.8743 5.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 3.5110 7.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 3.9091 7.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9799 1.9597 7.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9156 1.0962 5.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5469 3.7560 5.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6816 3.0933 3.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5868 1.3797 2.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 0.6252 4.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3354 -0.0404 3.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2734 -0.4973 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7316 -0.0240 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9566 1.5477 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 2.2786 -0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6376 1.7698 -2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 -0.7438 -2.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4814 -0.3174 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0171 1.2562 -4.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 1.2664 -4.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -0.3220 -1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5201 -0.6442 -3.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 1.7226 -3.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 1.9433 -1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 1.5498 -1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 0.1007 -2.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 -0.9641 -0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2318 0.6034 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 -1.1647 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 0.3996 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3037 -2.0586 3.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 -1.8116 2.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9263 -3.9335 2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2739 -4.1746 4.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3742 -5.5985 3.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 -5.8637 4.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 -4.3130 3.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 -7.1161 2.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 -5.5545 1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2697 -6.3453 2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -6.4159 3.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8093 -4.2167 4.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -3.7656 2.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0114 -4.3090 3.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -2.7793 3.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1468 -3.4298 1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4869 -4.9982 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3018 -2.3378 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2707 -3.5087 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6388 -5.3185 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 -4.6722 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 -2.3767 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -1.6911 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6663 -3.4807 0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 -2.1768 2.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5313 -1.1563 3.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -0.5706 1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 0.0571 3.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3056 2.1321 2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 2.2543 0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 1.1419 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9572 3.1286 2.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 3.4795 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 4.0064 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 -5.5510 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0729 -6.2619 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7604 -3.4046 -1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2397 -4.1081 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2624 -5.9115 -2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7605 -5.3504 -3.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7019 -4.7285 -4.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4749 -3.9603 -3.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9988 -3.2198 -4.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -2.4027 -3.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2101 -2.5352 -5.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7469 -0.3369 -5.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8151 -0.7675 -2.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 0.7218 -3.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1498 -0.3988 -2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6754 1.9337 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5163 3.3164 -2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4173 2.3671 -3.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7673 2.9221 -4.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2372 5.2312 -4.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4691 6.0891 -2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0030 5.0271 -2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6693 7.3812 -4.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 7.7207 -4.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0836 6.8010 -2.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0825 5.3349 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4447 4.7902 -4.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4132 6.2533 -4.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 3.8608 -2.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 4.1688 -4.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 5.8911 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 6.2534 -3.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 3.7595 -2.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 4.0113 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 5.1239 -1.8037 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 1 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 2 0 42 43 1 0 43 44 1 0 44 45 2 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 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 1 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 66162 1 0 67163 1 0 67164 1 0 68165 1 0 68166 1 0 69167 1 0 69168 1 0 70169 1 0 70170 1 0 71171 1 0 71172 1 0 71173 1 0 M END