HMDB0055100 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/O-18:0) 170169 0 0 0 0 0 0 0 0999 V2000 -1.1050 7.1379 0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 6.2268 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1064 6.9755 -1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6148 6.6279 -2.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 5.4930 -3.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 6.0086 -3.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 5.8339 -3.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0166 5.1033 -1.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7301 6.0316 -1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 5.8262 -0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7024 4.6362 -0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1157 3.7525 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7484 2.5145 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3389 1.6030 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5916 1.0968 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 2.0649 2.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6136 1.4756 4.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 1.0799 3.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6752 1.4807 2.8082 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 0.3119 4.7618 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1924 -0.0532 4.6242 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3963 0.3342 5.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9478 0.0037 5.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 -0.8231 6.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7295 -1.2437 6.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8798 -0.4102 6.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2934 0.8528 6.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 2.0496 6.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 3.3152 6.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4131 3.6780 4.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3953 4.0133 3.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4055 3.0122 3.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 3.8160 2.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 3.0109 1.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1134 1.9514 0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 1.2577 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 0.3054 -0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 -0.9423 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 -0.8941 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9335 -2.3477 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2992 -2.4325 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 -1.5266 4.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 -2.0075 3.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -3.3839 2.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6388 -4.0612 3.7495 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 -3.9573 1.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0101 -5.3626 1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 -5.4015 1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3212 -5.6924 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 -6.0432 -0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 -7.3427 -1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 -7.4098 -2.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1849 -6.2167 -2.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -6.3991 -4.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 -5.6061 -4.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6732 -4.4418 -4.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1816 -3.1697 -5.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 -2.4722 -6.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1268 -2.8479 -6.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -2.8913 -7.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 -2.1084 -8.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5319 -1.1623 -8.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 -1.4700 -8.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.7482 -8.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8993 -3.9980 -9.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6586 -3.9994 -10.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 8.2015 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 6.7051 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 7.1703 1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 5.2737 -0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7712 5.9527 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 7.8572 -1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 7.2111 -3.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 4.7504 -2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2093 4.9445 -4.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 6.5823 -4.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 6.2613 -3.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 4.2349 -2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 4.7782 -1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 6.9440 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3644 6.5874 0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7242 4.9744 -1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 4.0020 -1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1478 3.4430 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7402 4.2946 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9825 1.8992 -0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4953 2.7620 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 2.0608 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8135 0.7156 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0385 0.1500 2.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5837 0.7243 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8957 3.0089 2.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3801 2.3462 3.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 0.6393 4.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5475 2.2802 4.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7692 0.4847 3.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4779 1.4081 6.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 -0.2081 6.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 -1.7578 6.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1278 -0.2919 7.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8271 -2.1569 7.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -1.7806 5.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9633 -0.2840 8.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 -1.1532 6.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 1.0490 6.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3297 0.7830 5.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 2.0325 6.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 2.0954 7.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 4.1443 6.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0382 3.4278 6.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0064 2.7803 4.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2686 4.4534 4.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 4.4836 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7983 4.9086 4.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 2.6283 4.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8887 2.2167 2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 4.6487 3.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 4.2861 1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 2.4374 2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2081 3.6520 1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 1.2875 1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8554 2.4230 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 2.0885 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 0.7791 0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 0.8648 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 0.1245 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 -1.4805 -1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 -1.6359 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -0.2851 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3106 -0.6462 0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -2.9798 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9575 -2.6291 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0782 -1.9396 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6231 -3.5181 0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2939 -2.1075 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 -2.0932 5.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -1.8101 4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -4.0755 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2476 -3.2546 0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 -5.9660 2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 -5.7657 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8127 -5.1710 2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 -5.6669 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 -5.2471 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1019 -6.3222 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 -8.2316 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 -8.3828 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 -5.2859 -2.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3293 -6.1689 -2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -7.2680 -4.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5134 -5.8518 -6.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 -4.6072 -4.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6926 -4.2503 -3.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 -2.8517 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9586 -1.5459 -6.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6141 -2.0901 -6.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 -3.8213 -6.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 -3.5412 -8.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 -2.1659 -9.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 -0.8569 -7.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -0.1696 -8.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5579 -0.6249 -8.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 -1.2650 -9.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5634 -2.7087 -8.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -2.8551 -7.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6973 -4.8124 -8.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0373 -4.3936 -8.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 -4.2014 -10.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8325 -3.0030 -10.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 -4.7896 -11.0537 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 1 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 1 0 26 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 39 40 1 0 40 41 1 0 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 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 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 21 96 1 6 22 97 1 0 22 98 1 0 24 99 1 0 24100 1 0 25101 1 0 25102 1 0 26103 1 0 26104 1 0 27105 1 0 27106 1 0 28107 1 0 28108 1 0 29109 1 0 29110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 49143 1 0 50144 1 0 50145 1 0 51146 1 0 52147 1 0 53148 1 0 53149 1 0 54150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 65166 1 0 65167 1 0 66168 1 0 66169 1 0 66170 1 0 M END