HMDB0055275 RDKit 3D TG(18:3(9Z,12Z,15Z)/20:3n6/18:4(6Z,9Z,12Z,15Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -8.2973 3.4427 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1485 3.9257 -2.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0284 2.8019 -2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0251 2.4795 -3.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8119 3.3787 -3.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6703 2.5889 -3.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5677 2.4105 -3.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 2.9363 -5.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 1.8859 -6.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 1.7062 -6.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 2.5487 -6.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1927 3.2635 -7.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5217 3.0812 -7.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2149 2.1758 -6.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 2.8920 -5.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6507 1.8349 -4.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 2.3730 -3.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 1.2522 -2.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7737 0.0850 -2.7774 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 1.4877 -0.9909 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 0.4202 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 0.9523 1.3391 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4098 -0.2260 2.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7152 0.0641 3.5623 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 -0.9735 4.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7753 -2.1462 3.8776 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3313 -0.9050 5.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 0.2767 6.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8623 0.7855 7.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8973 1.2197 5.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6928 1.7778 6.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 2.3432 6.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8287 1.3654 5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2669 0.3293 6.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4367 -0.9449 5.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 -1.5233 4.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 -2.4297 5.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2921 -3.7114 4.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -4.3188 4.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8691 -4.9476 2.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 -6.1877 2.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 -7.1478 3.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 -7.6850 2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0629 1.6741 1.6349 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 3.0190 1.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9383 3.7535 1.8796 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 3.6261 2.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 4.8060 1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 5.5518 1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0346 4.9394 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0386 4.2660 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 2.9995 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7447 2.3582 -2.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2767 1.1699 -2.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 0.2171 -1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 -1.0555 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0286 -2.1920 -1.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -2.2435 -2.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1262 -2.7353 -3.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 -3.8197 -4.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 -4.7099 -3.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9353 -4.7109 -4.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9362 -5.6297 -3.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2540 -5.7104 -4.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1878 -6.6839 -3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3928 4.3407 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1674 2.8054 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3277 2.9431 -0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1928 4.3630 -2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4929 4.7676 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8999 2.1194 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0463 1.6178 -4.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6091 3.7944 -4.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0014 4.2436 -3.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8519 2.1205 -2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 1.7708 -3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0381 3.5308 -5.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 3.7211 -4.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 1.2368 -6.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4739 0.9139 -7.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7765 3.1842 -5.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1436 1.7766 -5.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 3.9632 -7.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 3.6142 -8.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 1.5788 -7.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 1.4517 -5.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 3.7875 -4.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1067 3.1824 -6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 1.0004 -4.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7944 1.3520 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 3.2482 -2.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 2.6310 -3.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1486 -0.0046 -0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 -0.3723 -0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1048 1.6357 1.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.8851 1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5335 -0.9499 2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 -1.1557 5.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8989 -1.7982 6.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7841 1.1557 6.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7893 0.1040 7.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 0.0007 7.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 1.6629 7.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 0.3287 5.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 1.9514 5.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 2.4938 7.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 0.8853 7.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 3.2358 5.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 2.7418 6.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 1.9406 4.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 1.0674 4.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 0.6553 6.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 -1.6687 6.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 -0.7242 4.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -1.9473 4.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -2.0265 5.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -4.3559 5.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 -3.6379 3.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7241 -5.0607 4.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -4.2662 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -6.5999 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5887 -8.0314 3.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4831 -6.8247 4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6888 -8.5218 3.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0886 -7.9714 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0223 -6.8611 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 3.9587 3.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 2.8756 1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 4.6098 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 5.5682 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0559 6.0397 2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5196 6.4419 0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 5.7263 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 4.1924 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 4.9610 -1.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 4.0271 -0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 2.3025 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 3.1666 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1645 2.9227 -3.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 0.7861 -3.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 0.6424 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 0.1068 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4396 -1.0634 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4866 -3.1148 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 -3.0051 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9474 -1.3293 -2.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4344 -2.1454 -4.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -4.1079 -5.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7928 -4.5665 -2.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -5.7747 -3.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3241 -3.6844 -4.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 -4.9638 -5.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4828 -6.6699 -3.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1009 -5.4416 -2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7583 -4.7071 -4.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 -6.0686 -5.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1869 -6.2232 -3.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3815 -7.5903 -4.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8459 -6.9866 -2.7753 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 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 2 0 25 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 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 21 93 1 0 21 94 1 0 22 95 1 6 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 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 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 43126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 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