HMDB0053066 RDKit 3D TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 165164 0 0 0 0 0 0 0 0999 V2000 5.6555 7.6862 6.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3254 7.0258 5.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7791 7.8425 4.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 7.4014 3.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 5.9847 3.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7888 6.0724 2.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5233 5.5766 0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2172 4.8875 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 5.6062 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 5.0274 -1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3565 3.6183 -1.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 2.9831 -2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6351 2.5276 -3.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 2.5898 -4.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 1.1979 -4.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 0.9220 -6.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 1.8958 -7.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 1.5972 -7.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 1.3667 -6.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 0.0893 -5.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -0.0829 -4.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7072 -1.4500 -4.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7863 -2.2011 -4.6866 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6299 -1.8637 -3.3635 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5428 -3.1730 -2.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6314 -3.4129 -1.8423 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7011 -2.4435 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 -2.4288 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -2.1663 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8512 -1.8380 -0.7563 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7118 -2.2836 1.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 -2.2566 1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 -1.0963 0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3432 0.2309 1.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 0.8383 1.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4823 1.1521 2.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 0.8801 4.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 0.0079 5.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 0.2764 6.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 1.5434 6.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8378 2.3327 7.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 3.5494 6.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0956 4.3118 5.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 4.7228 4.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 5.4921 3.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 5.8869 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 4.6822 1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 -4.7851 -1.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5314 -5.6826 -1.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4327 -5.2014 -2.6522 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5671 -7.1037 -1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7193 -7.5784 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 -7.3495 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 -7.9668 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -7.7604 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 -6.3262 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9137 -6.2000 0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -6.7099 -0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0864 -6.0174 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4361 -4.5904 -1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8899 -4.5090 -1.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5937 -3.7508 -2.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 -2.8823 -3.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -1.4089 -2.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8714 -1.2698 -2.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 0.1734 -2.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8218 0.1761 -2.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 7.0859 7.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2751 7.8704 5.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 8.6863 6.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 5.9692 5.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6427 7.1531 6.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5658 8.8907 5.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1267 8.0697 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 5.5511 3.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3544 5.4037 4.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 6.5765 2.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 5.6816 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 3.8669 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 4.6755 1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 6.6474 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5183 5.6038 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8261 2.9986 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 3.6567 -2.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3401 2.9119 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 2.0740 -3.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 2.9269 -4.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 3.2897 -5.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 0.4273 -4.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 -0.1215 -6.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7663 2.9656 -6.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 1.8754 -8.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 2.4625 -8.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 0.7514 -8.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 1.3458 -7.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 2.2004 -5.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -0.0899 -5.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 -0.7826 -6.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 0.7014 -4.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 0.0174 -5.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8681 -3.8251 -3.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5393 -3.4698 -2.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5915 -3.3274 -2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7066 -2.5923 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7287 -1.3876 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 -3.2782 2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0446 -1.5542 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 -2.5301 2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 -3.1544 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1642 -0.8911 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5599 -1.3075 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 0.3139 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8745 0.9384 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 1.0553 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 1.6262 2.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 1.8694 4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2496 0.4861 4.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 -0.9858 4.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 -0.4426 6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 1.2834 7.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 2.1263 6.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 1.8934 7.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 4.0770 7.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 3.8936 5.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8636 5.3295 6.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9472 3.8235 4.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5561 5.4022 4.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3328 6.4096 4.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7971 4.8017 3.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 6.4409 1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1065 6.5750 2.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 4.5172 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1201 3.7966 1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 4.9040 0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6525 -7.3395 -1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3589 -7.6651 -2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0937 -7.1047 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8494 -8.6955 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9655 -6.3151 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -7.9475 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7344 -9.0486 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8716 -7.5154 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 -8.2451 -0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 -8.3822 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 -5.8892 1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 -5.7845 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -5.2285 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -6.8993 1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1807 -7.7555 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -6.4565 -2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 -4.0536 -2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -4.1469 -0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4489 -5.1209 -0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7104 -3.7477 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0183 -2.9962 -3.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 -3.0873 -4.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 -1.0966 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9587 -0.7763 -3.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4084 -1.8835 -2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2705 -1.5029 -3.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 0.5428 -1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9765 0.8342 -3.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2218 1.1162 -2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2263 -0.0567 -3.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1599 -0.6581 -1.8328 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 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 1 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 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 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 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 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 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 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 47132 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 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END