HMDB0042380 RDKit 3D TG(14:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 157156 0 0 0 0 0 0 0 0999 V2000 3.9898 -5.2099 1.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 -6.6793 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -7.4959 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -7.4127 0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 -6.0942 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1594 -5.7861 -1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 -5.6520 -2.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 -5.7630 -2.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 -4.7504 -3.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 -3.5308 -3.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -2.8901 -3.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 -2.5490 -4.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 -1.3906 -5.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 -0.0944 -4.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 0.2426 -3.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 0.9418 -2.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7508 1.4533 -2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7016 1.0409 -1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4309 1.3742 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2763 0.8118 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.3613 1.2783 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 1.5038 1.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 1.0053 1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2002 0.7250 3.1619 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0480 0.0680 3.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2188 0.8333 3.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 0.3284 3.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5216 -0.7704 4.2251 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6646 1.0801 3.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9515 0.4165 3.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2338 -0.9243 3.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2525 -1.3107 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0174 -1.1967 0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1143 -1.6666 -0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2683 -3.0671 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4037 -3.8954 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2993 -5.2970 -1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3325 -5.2969 -2.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2353 -6.7628 -3.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2525 -6.8455 -4.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4967 -6.2917 -5.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4549 1.9028 3.8465 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6324 2.1989 4.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 1.2141 4.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 3.3347 5.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2808 4.5722 4.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 5.3602 3.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 4.8086 3.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 5.8807 2.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 6.9554 1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 6.6555 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 5.7626 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9285 6.1200 -0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2361 7.4554 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5889 7.8713 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 9.2404 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 9.6956 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4364 8.7777 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5957 8.7024 -2.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 7.7604 -2.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4912 6.3753 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -4.8423 2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 -4.7360 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9158 -4.7527 2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -6.9600 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 -7.0721 2.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9903 -7.2900 -0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7114 -8.6044 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3884 -7.7462 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7721 -8.2086 -0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3467 -6.1440 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6815 -5.2727 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2749 -5.6685 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2352 -5.4480 -3.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3675 -6.2187 -1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0425 -6.7340 -3.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 -5.0713 -3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 -2.8918 -3.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 -3.4034 -2.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.9420 -2.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7464 -3.4610 -5.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2226 -1.3913 -6.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4721 0.4615 -4.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 0.5172 -5.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2633 -0.0048 -3.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 1.1337 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 1.5184 -3.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6043 2.5990 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6899 1.5423 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9531 -0.0530 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4006 1.1169 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4219 2.5173 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3002 0.0523 1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 1.6980 1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 0.0220 3.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -0.9298 3.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -0.0662 4.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 1.5310 2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5691 2.0421 3.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9635 0.3695 4.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8202 1.1502 3.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5839 -1.6523 3.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2746 -1.2315 3.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6833 -2.3165 1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0349 -0.6813 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1529 -1.7681 1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6081 -0.1521 0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 -1.2509 -1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9679 -1.0947 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -3.1127 -2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2915 -3.6573 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3715 -3.4875 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3726 -4.0995 0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3899 -5.7558 -0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1542 -5.8861 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4922 -4.7434 -2.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3373 -4.9415 -2.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3498 -7.2442 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1285 -7.2654 -2.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1439 -7.9043 -4.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3598 -6.3200 -4.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5284 -6.5973 -6.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5681 -5.1894 -5.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3843 -6.7928 -4.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 3.0987 5.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 3.5934 6.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9117 5.2791 5.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0175 4.3800 3.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 6.1707 3.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 6.0115 4.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 4.1333 2.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5764 4.1887 4.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 6.3096 3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 5.3204 2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 7.8201 1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3437 7.4449 2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 6.2997 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 7.6461 -0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8288 4.7016 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6909 5.3385 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4476 7.3711 -2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4989 8.2322 -0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5811 7.7904 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 7.1622 -0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 9.2939 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1988 9.9436 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2373 9.8219 0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 10.6933 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3648 9.1815 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2769 7.7350 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 9.6798 -2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6929 8.2590 -2.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6484 8.2314 -2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9890 7.7539 -3.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9425 5.5860 -2.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9429 6.2815 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4123 6.2077 -1.9039 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 24 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 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 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 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 6 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 41124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 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 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END