HMDB0042197 RDKit 3D TG(14:0/20:0/18:3(6Z,9Z,12Z)) 161160 0 0 0 0 0 0 0 0999 V2000 4.9360 0.7883 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 1.9308 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 2.0140 -1.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0613 3.1532 -2.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9632 3.3774 -3.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7385 2.2171 -4.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5971 1.6243 -4.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 2.0220 -3.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 2.4048 -4.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7212 1.7945 -5.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.6952 -4.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -0.4876 -5.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -1.0841 -5.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7447 -0.7552 -4.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3032 -1.9702 -4.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6874 -1.7488 -3.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8895 -0.6799 -2.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2359 -0.8839 -1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4702 0.0226 -0.4832 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4188 -1.9521 -1.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9085 -1.9772 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0143 -3.1383 0.5569 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6894 -4.4725 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6626 -5.4950 0.3414 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 -5.5261 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 -4.6658 -1.5667 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 -6.4665 -0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 -7.1806 -2.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 -6.3920 -3.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -5.4260 -3.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 -6.0586 -3.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 -5.1003 -3.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 -4.0947 -2.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4816 -3.1076 -1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 -2.0941 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 -1.0968 -0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1886 -0.1117 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 0.8278 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3428 1.5865 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5739 -3.1589 1.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2865 -3.1397 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3265 -3.1115 1.5454 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 -3.1470 3.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4604 -3.0419 4.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 -3.0145 5.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3356 -2.8908 5.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 -1.6210 5.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 -1.4200 5.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8367 -0.1873 4.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 1.0495 5.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6004 2.2822 4.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8186 3.5004 4.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 4.7555 4.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 4.6393 2.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 4.3333 2.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 5.3602 2.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 4.9503 2.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 5.9471 2.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0916 5.4181 2.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2499 6.3202 2.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4893 5.6365 1.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4315 -0.0806 -0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 0.4515 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 1.0851 1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 2.8973 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 1.7648 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 2.0217 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 1.0431 -2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1256 4.0960 -2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 3.0859 -3.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1057 3.8672 -3.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 4.1737 -4.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 1.8799 -5.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 0.7590 -5.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 1.1321 -3.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5424 2.9089 -3.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 3.2457 -5.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4395 2.0882 -5.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 0.4914 -3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2273 0.9698 -3.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 -0.8746 -5.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -1.9708 -6.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8795 0.1621 -4.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4252 -0.6469 -5.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3069 -2.8066 -4.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6689 -2.2637 -3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0755 -2.7481 -3.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3184 -1.5397 -4.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0002 -0.6298 -2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6503 0.3056 -3.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3036 -1.0471 0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7466 -2.0231 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0602 -3.0718 -0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4292 -4.6906 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1667 -4.4505 -0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -7.2655 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6595 -5.8932 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 -7.8124 -2.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -7.9710 -1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -7.1067 -4.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 -5.8021 -3.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -5.0860 -4.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 -4.5195 -2.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 -6.7362 -2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4235 -6.7982 -3.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3531 -5.7006 -3.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 -4.5199 -4.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4723 -3.4700 -2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 -4.5602 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0586 -2.5649 -2.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -3.6754 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8353 -1.6123 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 -2.5978 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -1.5879 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -0.5043 -1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2349 -0.6764 1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 0.4454 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 0.2091 1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2585 1.5314 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 2.6113 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5641 1.7485 -1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1047 1.1078 -1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2774 -4.1129 4.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 -2.3615 4.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1824 -2.0295 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 -3.8114 3.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6956 -2.1799 5.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 -3.9858 5.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -2.8377 6.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8469 -3.7839 5.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 -0.7381 5.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7703 -1.7150 4.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -1.2968 6.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 -2.2681 5.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9415 -0.0454 4.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6781 -0.3304 3.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 0.9959 4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 1.1612 6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 2.1489 3.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 2.4155 4.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8611 3.6135 5.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 3.3382 4.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3399 4.8767 4.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 5.6499 4.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 3.9104 2.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 5.6248 2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 3.3573 2.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 4.1904 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6283 5.4664 3.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 6.3347 2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 3.9845 2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7099 4.8080 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 6.9310 2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8434 5.9671 3.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0343 5.2704 0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2718 4.4491 2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3726 6.2934 3.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1432 7.3335 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4799 4.5950 2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3805 6.1882 2.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4097 5.5261 0.6904 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 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 22 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 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 1 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 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 6 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 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 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 39122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 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 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 61161 1 0 M END