HMDB0051333 RDKit 3D TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 167166 0 0 0 0 0 0 0 0999 V2000 2.5056 -2.7988 -10.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 -2.3658 -8.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4059 -1.3226 -8.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -0.1114 -8.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7316 0.3729 -7.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4439 1.4870 -8.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 2.6874 -8.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0501 3.1827 -6.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 3.6815 -6.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 3.1981 -5.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 2.1178 -4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7536 1.0121 -5.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5925 0.5861 -4.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7179 1.1230 -2.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 1.6263 -2.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9597 1.1805 -2.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 0.1304 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7999 0.7064 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1996 1.2299 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1702 1.7982 1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 2.9050 2.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5453 1.0536 2.9935 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4956 1.6016 4.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 0.6900 5.2790 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9149 1.3635 6.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 0.6438 7.6593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 0.6149 7.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 1.2924 6.8101 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9789 -0.0994 8.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5089 -1.3460 7.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 -2.1322 8.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 -3.3508 7.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 -3.5835 7.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 -2.5634 7.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 -2.1867 5.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 -1.0203 5.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 0.1337 6.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6978 1.2086 6.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 2.3995 5.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 2.8052 5.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 3.2125 3.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 3.6488 3.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6106 4.0768 2.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 5.2485 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 5.6574 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 4.5547 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 5.0301 -2.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4788 0.3777 4.9294 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 -0.9598 4.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0975 -1.7942 4.7604 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 -1.4980 4.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5457 -2.1212 3.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -1.2306 1.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 -1.9943 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 -2.6929 0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -3.4050 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 -4.1367 -0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6721 -5.4484 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5648 -6.2931 -1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 -7.0980 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 -7.2548 -3.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 -6.6226 -3.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5384 -5.8905 -4.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 -4.6420 -4.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 -3.6603 -3.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 -2.6168 -3.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 -1.3675 -4.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 -0.8925 -4.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 0.1359 -3.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7209 -2.2854 -10.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -3.9002 -10.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -2.6653 -10.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6969 -3.2926 -8.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4275 -2.1110 -8.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 -1.6232 -8.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9069 0.6147 -7.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6747 0.6651 -6.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -0.3943 -7.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 1.2662 -9.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 3.4376 -9.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 4.1155 -6.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 2.4738 -6.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 4.5150 -7.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1413 3.6178 -5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.7379 -5.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 2.5079 -3.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 0.5350 -6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -0.2440 -4.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 0.3232 -2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 1.9540 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3686 2.4220 -3.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9878 1.6139 -1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4716 -0.6716 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 -0.4040 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 1.4750 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -0.1659 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4565 2.0484 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9273 0.4148 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5646 1.7798 4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9905 2.6003 4.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 -0.2407 5.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9662 1.4175 6.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5449 2.4125 6.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1335 0.5015 9.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 -0.4200 9.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -1.9746 7.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 -0.9401 7.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3478 -1.4865 8.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -2.5019 9.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8941 -4.1179 7.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 -4.5042 6.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1064 -3.0906 7.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 -1.8035 8.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 -3.0139 5.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 -0.8335 4.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6868 0.4087 5.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 -0.1160 7.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 1.0098 6.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 3.1300 5.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2235 2.1060 5.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8141 3.7647 5.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7117 4.0248 3.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 2.3229 3.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1335 2.8040 3.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 4.5165 4.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 3.2057 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 4.2889 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 4.9942 1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 6.1071 2.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 6.5777 -0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 5.9107 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 3.6994 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 4.2077 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 4.6450 -2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 6.1222 -2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 4.6048 -2.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5765 -2.3080 5.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0488 -0.6863 4.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -2.6574 3.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2997 -2.9677 2.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 -0.6992 1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 -0.4609 1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 -1.3437 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 -2.7673 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 -1.9894 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -3.5140 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4889 -2.5555 -1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 -3.8976 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -3.5379 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6672 -5.8521 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5351 -7.0879 -0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 -5.8058 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4873 -7.7376 -2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9341 -7.9779 -4.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 -7.4987 -3.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8869 -5.9387 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2614 -6.5078 -5.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 -4.2284 -5.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2066 -3.3421 -4.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1824 -4.1036 -2.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1253 -2.9597 -3.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 -0.6180 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -0.2598 -5.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 -1.5735 -4.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3629 0.9454 -3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 -0.3718 -2.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1004 0.6114 -3.3987 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 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 2 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 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 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 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 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 67162 1 0 68163 1 0 68164 1 0 69165 1 0 69166 1 0 69167 1 0 M END