HMDB0049406 RDKit 3D TG(18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -3.9944 7.7843 -4.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4899 7.9230 -4.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9956 9.2380 -4.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9371 9.4378 -3.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6005 8.3516 -2.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0623 8.3233 -3.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9036 8.4130 -2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5698 8.5518 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0881 7.3403 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2663 6.5370 0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8059 6.7203 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0385 5.6775 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1697 4.8689 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7556 4.8201 1.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8901 3.4432 2.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7846 2.8390 2.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4867 3.4725 2.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 2.8320 1.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3805 2.3848 2.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8026 2.3737 3.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 0.9223 4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5053 0.3213 3.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1328 1.0205 2.3682 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.0330 3.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7097 -1.6710 2.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -3.1524 2.7283 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7222 -3.9658 2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 -4.1246 0.6888 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5129 -4.8380 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 -5.3253 0.5522 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 -5.0292 -1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -3.7843 -2.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6903 -2.9697 -2.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 -1.7677 -2.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 -0.7073 -3.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8567 -0.9908 -3.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.8247 -2.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0942 -1.1186 -1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1603 -1.8579 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4541 -1.1050 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3777 -1.5327 1.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9711 -2.8951 2.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7601 -2.8560 3.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4291 -4.2994 3.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 -4.3442 4.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9346 -5.7449 4.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5501 -6.6546 3.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 -3.7005 2.4985 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4686 -3.9713 3.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0642 -3.6869 4.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 -4.5583 3.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9943 -5.1992 2.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 -5.8543 1.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5731 -5.1120 1.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0335 -4.4640 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 -3.4485 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2893 -2.0427 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2058 -1.8635 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1656 -1.1125 0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0249 -0.4192 -0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8354 -0.8501 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1308 -0.0999 -1.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 1.3387 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 2.1025 -2.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 1.7745 -3.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 2.5915 -4.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 4.0710 -4.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7237 8.3816 -3.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7022 6.7493 -4.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4389 8.2137 -5.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 7.7691 -6.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9546 7.0425 -4.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5374 10.1024 -5.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2462 10.4590 -3.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1549 7.3367 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4014 8.5316 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4413 8.2263 -4.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9779 8.3742 -2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1912 9.4519 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5457 8.7212 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1802 7.1260 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7471 5.6588 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5945 6.7988 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4889 7.6939 0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2616 5.5950 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6744 4.1374 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 5.3831 2.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 5.4043 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8740 2.9903 2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 1.8148 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 4.5475 2.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 3.4346 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7795 2.7484 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 1.9314 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3198 2.8288 4.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 2.8536 3.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 0.9342 5.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4471 0.3621 4.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4467 -1.6197 1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 -1.3284 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -3.1278 3.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -3.5728 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -5.0111 2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -5.6866 -1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 -5.5473 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5154 -3.1144 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3192 -4.0428 -3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -3.6300 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 -2.6869 -1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2895 -2.1247 -4.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5312 -1.2653 -2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 0.1782 -3.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 -0.2948 -1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3322 0.0436 -3.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 -1.3896 -4.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5454 -2.8526 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8122 -1.8307 -3.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4923 -0.1189 -1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1687 -1.1329 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9168 -2.9143 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0897 -1.8034 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7811 -0.0415 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6359 -0.8274 2.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 -3.5718 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8255 -3.3213 2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9015 -2.4170 2.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9723 -2.3425 4.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 -4.7174 3.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 -4.9151 2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 -3.7853 5.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3939 -3.8489 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -6.2258 5.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0772 -5.7617 5.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7183 -7.7385 3.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1423 -6.5122 2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 -6.5000 3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -3.8339 3.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9121 -5.4113 4.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -5.9804 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 -4.4518 1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -6.5232 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3845 -6.6644 2.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6753 -4.3637 2.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 -5.8470 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1287 -4.0808 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4558 -5.3407 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2245 -3.3980 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 -3.7988 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2757 -1.7458 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2498 -1.3427 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2712 -2.3507 2.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3837 -1.0042 1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9082 0.6768 -0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 -0.3831 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 -1.9575 -1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9176 -0.6564 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1936 1.5739 -1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.7486 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 3.1827 -2.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8645 1.9973 -3.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 0.7074 -4.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 1.9979 -3.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0946 2.3894 -5.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 2.3024 -5.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 4.4589 -4.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1953 4.4826 -4.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 4.5161 -5.8098 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 2 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 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 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 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 1 27102 1 0 27103 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 40122 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 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END