HMDB0042926 RDKit 3D TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) 159158 0 0 0 0 0 0 0 0999 V2000 0.5134 5.9310 -6.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 5.9244 -8.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 6.9413 -8.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 6.6906 -8.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2556 5.3095 -8.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 4.9813 -7.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 4.0019 -6.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6783 3.0996 -6.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1715 1.7055 -6.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 0.7247 -5.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 0.8937 -4.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.0734 -4.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 -1.0363 -4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 -1.1891 -2.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 -2.5165 -2.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -3.4168 -2.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 -3.3287 -0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6094 -3.5138 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 -2.6606 1.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -1.3535 1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 -1.4104 2.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2946 -0.2286 2.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -0.3027 3.8386 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 1.0010 2.2856 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5607 2.0388 2.6951 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3790 2.3814 1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3743 3.3520 1.6987 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1731 3.7875 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9666 3.3162 -0.4921 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 4.7828 0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5563 4.0340 1.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9081 3.0329 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0801 2.2021 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4183 1.2104 -0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2305 0.3761 -1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6109 -0.6755 -1.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2383 -0.8489 -3.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3087 0.0488 -3.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 -0.6744 -4.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8739 -0.2915 -3.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 0.9944 -3.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8164 1.8876 -4.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6663 2.3955 -3.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 2.1366 -2.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 3.4726 -1.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4179 3.9094 -1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6381 3.1271 -1.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5714 3.9120 -2.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 3.2825 3.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 3.2026 4.1158 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 2.8108 5.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2337 2.4553 5.7727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0263 2.8177 6.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4521 1.5128 6.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 0.8685 7.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.4218 8.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2563 -1.4944 7.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 -2.0700 6.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1077 -2.7239 7.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 -3.3146 6.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0081 -3.9503 6.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6489 -5.0449 7.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 -6.2133 7.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -7.0357 6.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3207 -6.4112 4.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 5.6034 -7.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 5.2246 -6.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 6.9294 -6.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 6.2507 -8.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 4.9171 -8.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 8.0132 -8.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 7.5349 -8.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 4.5891 -8.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0264 5.4373 -9.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9753 5.6439 -6.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 3.7955 -5.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0913 3.3121 -7.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 3.2083 -5.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8559 1.5490 -7.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2673 -0.2637 -6.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 1.9057 -4.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 0.6913 -3.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 0.0684 -5.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6432 -1.7407 -4.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4257 -1.2116 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9495 -0.4250 -2.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -2.7192 -3.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2097 -4.3835 -2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 -2.5435 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1652 -4.3119 -0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1828 -4.4563 0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 -2.9461 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 -1.1601 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7376 -0.5485 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -1.5137 3.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5035 -2.3540 2.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 1.7101 3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 1.4289 1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 2.7522 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 5.3032 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0951 5.5296 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3493 4.7994 1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3871 3.5795 2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 2.4168 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1305 3.5955 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9941 1.7405 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9645 2.9003 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2109 0.5533 -0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8343 1.7821 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 1.0295 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 -0.1112 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3318 -1.4271 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6615 -1.7366 -3.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2262 0.9635 -3.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 0.2498 -4.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1767 -1.6218 -4.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -0.8676 -4.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1236 0.7494 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 1.5408 -2.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2278 2.1567 -5.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1277 3.0518 -4.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 1.5645 -2.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6546 1.6123 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6433 4.0825 -1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 4.9107 -1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 3.0823 -0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 2.1133 -2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3224 3.2034 -3.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9729 4.3920 -3.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 4.6803 -2.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 4.1344 3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7574 3.5854 2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 3.4633 7.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8964 3.4191 6.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 1.6346 7.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7913 0.8882 6.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 1.5589 8.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 0.7382 7.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6454 -0.1483 9.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9777 -0.7383 9.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 -1.1997 6.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 -2.3353 8.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -2.8652 5.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0347 -1.3018 5.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3705 -3.5471 7.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 -1.9106 7.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2231 -2.4533 5.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 -4.0365 5.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4363 -3.1083 7.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 -4.1898 6.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -4.6766 8.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 -5.4045 8.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0739 -5.8915 6.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5603 -6.8360 7.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6808 -7.5197 6.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 -7.9487 5.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -5.5365 4.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 -7.1496 4.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 -6.1233 4.9920 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 2 0 28 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 1 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 64155 1 0 64156 1 0 65157 1 0 65158 1 0 65159 1 0 M END