HMDB0049916 RDKit 3D TG(18:1(9Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) 167166 0 0 0 0 0 0 0 0999 V2000 2.7732 7.3630 -2.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 7.8178 -2.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 7.4749 -3.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3587 6.6744 -3.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 6.0188 -2.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 4.5654 -2.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 3.7012 -2.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 4.0722 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1706 3.3110 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7086 3.9126 1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 5.3596 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1672 5.6506 2.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 6.4536 2.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 7.1715 1.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 6.8822 1.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 5.4525 1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 5.3752 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3495 3.9671 1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8281 3.4269 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 2.0740 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 1.8517 -1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7256 0.9369 0.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -0.3622 -0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3918 -1.3740 0.5022 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6054 -1.3314 2.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2715 -0.0910 2.5655 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.0527 3.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7967 -0.9773 4.5813 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1183 1.2399 4.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 1.4622 5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 0.3189 5.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 0.6141 6.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2475 0.9752 5.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 1.2228 5.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5456 1.6760 4.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6364 0.7284 3.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 0.2244 2.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0906 0.5257 3.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7031 -0.7863 3.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8162 -1.4145 4.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4047 -2.7307 5.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5125 -3.3713 6.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 -4.6498 6.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2893 -5.6192 5.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 -6.9247 6.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8199 -2.6946 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 -3.5784 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6709 -3.1660 -0.4591 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2234 -4.9431 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -5.0121 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0255 -4.5888 -2.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -4.6388 -4.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 -4.1679 -4.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 -4.1608 -6.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 -3.6438 -6.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0974 -2.2865 -6.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8878 -1.8313 -5.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 -2.7525 -4.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2243 -2.1905 -4.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3977 -2.8987 -4.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 -3.0979 -2.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -3.8634 -2.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -5.2898 -2.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5232 -5.9264 -1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3056 -7.3623 -1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1639 7.5738 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 6.2948 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 7.9163 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9518 7.3621 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 8.9379 -2.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 7.9007 -4.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 6.4299 -4.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 6.2263 -2.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 6.2981 -1.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 4.1903 -3.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 2.6093 -2.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5687 3.7605 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4672 5.1332 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 2.2012 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 3.2602 1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 5.5384 1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 6.0339 0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 5.1459 3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 6.6115 3.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 8.2752 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 7.1207 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4295 7.5255 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 7.1791 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9733 5.1166 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9007 4.7748 2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 5.6433 2.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 6.0322 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1153 3.3415 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4558 4.0454 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7134 3.3545 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0887 4.0999 -1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2733 -0.4110 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 -0.5734 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -1.3037 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0783 -2.1804 2.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 -1.5627 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7263 1.2312 5.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4326 2.1558 4.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6415 2.3631 5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 1.7244 4.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 0.0196 6.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 -0.5779 5.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 -0.2325 6.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6386 1.4749 6.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2797 0.1632 4.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 1.9115 4.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 1.9622 6.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0506 0.2693 5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5027 2.0892 4.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9971 2.5955 3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7172 0.4026 2.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 -0.4850 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 0.8668 2.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1456 1.2136 4.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7360 -0.5860 4.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8364 -1.4814 3.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -1.6834 4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 -0.7383 5.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4104 -2.6153 5.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4908 -3.3784 4.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -2.6527 7.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5501 -3.6134 5.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0879 -4.4681 7.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4147 -5.1170 7.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3571 -5.8003 5.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0780 -5.2179 5.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2211 -7.5778 5.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7724 -6.6827 6.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0894 -7.4424 6.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4211 -5.6152 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -5.2932 -0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -6.0325 -2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1265 -4.2790 -2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8765 -3.4916 -2.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1813 -5.1819 -2.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2228 -5.6559 -4.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 -3.9488 -4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 -4.8358 -4.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 -3.1582 -4.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1942 -3.5574 -6.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 -5.2100 -6.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -4.3769 -6.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0603 -3.5303 -7.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6033 -1.5448 -6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 -0.7733 -4.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 -3.7967 -4.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 -2.7347 -3.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2655 -1.0877 -4.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 -2.0887 -5.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3101 -2.3060 -4.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5059 -3.8529 -4.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -3.4814 -2.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7371 -2.0576 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8345 -3.3629 -1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3191 -4.0083 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4044 -5.9023 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -5.2788 -3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0423 -5.9482 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 -5.3701 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -7.6655 -2.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 -7.4548 -2.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3618 -8.0731 -1.0714 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 1 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 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 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 2 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 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 65167 1 0 M END