HMDB0048165 RDKit 3D TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -0.1260 6.2021 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 6.1328 1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 6.9187 1.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 6.9468 3.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 7.7556 3.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 7.3034 4.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7165 5.9324 4.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9098 5.3422 3.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2955 3.9827 4.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3456 2.8798 4.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 2.4605 2.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7211 2.0025 1.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9679 1.5469 0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 2.5620 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2267 3.7771 0.2717 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 2.1663 -0.8899 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 2.9781 -1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3176 2.0517 -2.3932 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1380 0.9968 -1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.0362 -1.9713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4742 -0.8959 -2.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 -0.6986 -3.5019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 -1.9772 -3.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7852 -3.3417 -3.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1728 -3.9876 -2.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 -3.3269 -1.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 -3.4071 -2.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 -2.7634 -2.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3545 -3.0428 -1.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9742 -2.5934 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1161 -3.0761 0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9634 -2.6324 2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8146 -3.4324 3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 -4.8891 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4024 -5.2865 3.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3141 -4.5715 2.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -4.9199 3.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 -4.2364 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -2.7449 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 -1.9936 2.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9106 -0.4903 2.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 2.7505 -3.0867 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6946 2.8338 -4.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2476 2.1930 -5.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7063 3.5772 -5.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 3.6382 -4.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6574 2.2605 -4.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9468 2.4747 -3.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2371 1.9415 -2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 1.0578 -1.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0729 -0.2392 -1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 -0.8031 -0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1578 -0.1815 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4603 0.0587 1.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7957 -0.3985 2.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9178 -1.2299 3.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5817 -2.5169 3.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0739 -3.6836 3.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7776 -4.0346 2.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7839 -4.9229 1.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4564 -4.3852 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4006 -5.4461 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0682 -4.9720 -1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8291 5.8642 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 5.5441 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2578 7.2653 -0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0669 5.1007 1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 6.6215 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1483 7.9303 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 6.3939 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3254 5.9008 3.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 7.4705 3.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4841 8.7876 3.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 7.9798 4.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8401 5.3062 4.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 6.0689 5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7521 6.0589 4.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6998 5.4230 2.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3201 3.7019 3.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 4.0742 5.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8726 1.9679 4.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 3.0405 5.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1983 3.3394 2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 1.6695 3.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 1.1548 2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3995 2.8171 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 1.1754 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 0.6384 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 3.4997 -0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7448 3.7074 -2.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 1.5779 -3.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 0.6327 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 1.5338 -0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 -2.0934 -2.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8449 -1.7131 -4.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 -3.9977 -3.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1528 -3.4254 -4.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1386 -5.0415 -2.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9235 -4.0710 -1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 -3.9576 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 -2.3364 -1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -3.1438 -3.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4099 -4.5363 -3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0537 -2.9976 -3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -1.6272 -2.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6449 -4.1504 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3664 -2.5629 -1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 -1.4717 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0211 -2.9653 0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -4.1336 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0221 -2.5453 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -1.5183 2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 -3.0049 4.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5056 -5.2955 3.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 -5.3539 2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 -6.3715 3.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 -4.8971 4.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 -4.9132 1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -3.4934 2.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -4.5913 4.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8312 -6.0315 3.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 -4.5456 3.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2588 -4.5761 1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 -2.4844 2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -2.4056 3.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 -2.2333 2.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -2.2775 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 -0.1587 3.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6961 0.0667 1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.2177 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 4.6326 -5.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8947 3.0909 -6.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9224 4.1762 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 4.2711 -5.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8808 1.8109 -5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9359 1.6819 -3.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6956 3.1140 -4.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 2.1408 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 0.9601 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 1.6000 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 -0.7683 -2.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 -1.7305 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5214 -0.9443 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 0.7328 0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2195 0.6779 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8261 -0.1466 3.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8805 -0.7165 4.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9175 -1.3705 3.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6290 -2.4528 4.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7091 -4.5755 3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2022 -4.5545 3.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2287 -3.1106 2.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1759 -5.9405 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -5.0920 1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 -3.5437 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4839 -4.0720 0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3442 -5.6964 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9079 -6.3589 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8642 -3.8987 -2.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 -5.5499 -2.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1555 -5.1836 -1.7861 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 2 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 18 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 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 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 0 17 90 1 0 18 91 1 6 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 41130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 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 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END