HMDB0045705 RDKit 3D TG(20:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -4.0448 6.8159 -7.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 6.9887 -6.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8483 5.7784 -5.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 5.6715 -4.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 6.8886 -3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3813 6.5941 -3.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 6.5710 -1.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 6.8482 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 7.9531 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 7.7579 1.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2771 6.4112 1.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 5.8385 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5559 4.7296 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3283 3.8832 0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4603 2.4526 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8915 1.7879 1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7936 0.3639 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1798 -0.2236 1.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 -0.2507 0.5731 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8143 -0.7334 2.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 -1.2861 2.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4789 -2.4910 2.0838 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0782 -2.3886 2.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 -1.0874 1.8838 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3594 -0.2385 1.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4509 -0.6753 2.2667 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2655 1.1264 1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9849 2.2459 2.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 2.0338 3.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 3.1871 3.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0777 2.7846 4.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4193 1.7282 5.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 1.1671 6.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2707 0.4154 5.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3981 -0.2113 7.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 -1.0730 6.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8297 -0.5424 5.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 -1.7288 5.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0355 -1.4350 4.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 -0.9285 3.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 -1.8507 2.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 -1.2245 1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 -2.0385 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 -1.3489 -1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -1.2743 -1.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3069 -2.3001 0.7212 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6752 -3.1696 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 -4.2253 0.2779 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5608 -2.8323 -1.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 -3.5561 -2.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -5.0245 -2.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 -5.5377 -3.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -4.9724 -4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 -5.3832 -5.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 -4.9360 -5.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -3.4735 -4.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 -2.6548 -5.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5713 -3.0097 -6.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0003 -2.6305 -6.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5321 -3.2843 -5.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9862 -2.9208 -4.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4268 -3.6568 -3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2936 -5.1492 -3.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0132 5.7421 -7.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4517 7.3418 -8.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 7.1673 -7.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9535 7.0304 -6.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7309 7.9448 -5.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2606 4.8606 -5.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4132 4.7386 -3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4137 6.9882 -2.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9385 7.8188 -3.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 6.3694 -3.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 6.3300 -1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 7.3213 -0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 5.9907 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 8.9219 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6963 8.5869 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0936 5.7724 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5774 6.7172 2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8152 6.4073 2.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5766 4.4079 1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 3.8256 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 4.2610 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 1.8653 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 2.4544 2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1774 1.6985 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 2.3698 1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 -0.2237 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4361 0.3432 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 -1.6919 3.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8823 -0.5682 2.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -3.4292 2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -2.6045 3.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 -3.1902 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6035 1.1640 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2842 1.3521 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7724 3.1553 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8874 2.4760 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 1.1730 3.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9181 1.7395 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 4.0323 3.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1108 3.5702 4.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 2.4063 4.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 3.6969 5.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3434 2.0738 6.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 0.8506 5.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 0.3732 7.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 1.9030 7.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 1.0576 5.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 -0.4334 5.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0654 -0.8172 7.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9659 0.6447 7.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 -2.0120 6.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 -1.5143 7.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 0.1597 6.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5762 -0.0559 4.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 -2.0462 6.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 -2.6053 5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 -0.7273 5.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -2.3782 4.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 -0.8513 3.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 0.1108 3.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3684 -1.9956 2.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9873 -2.8167 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -1.2142 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2331 -0.2159 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 -2.1641 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5511 -3.0407 -0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -1.9850 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -0.3111 -1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0803 -1.0538 -2.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3306 -2.2146 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 -0.4089 -0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3175 -1.7289 -1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -2.9056 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -3.1563 -3.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5224 -3.1762 -2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -5.3652 -3.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7185 -5.5858 -1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5256 -5.1009 -2.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4305 -6.6544 -3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5973 -3.8566 -4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 -5.2708 -5.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 -4.8398 -6.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4586 -6.4821 -5.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6235 -5.2370 -5.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 -5.4804 -4.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2509 -3.0080 -4.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5615 -1.5645 -5.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 -4.0507 -7.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 -2.3824 -7.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0355 -1.5280 -6.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6236 -2.9307 -7.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4847 -4.3856 -5.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9247 -2.9320 -4.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 -3.2441 -5.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1341 -1.8224 -4.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 -3.3320 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5020 -3.4460 -3.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8815 -5.6381 -3.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 -5.5188 -4.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2366 -5.4827 -3.7606 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 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 22 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 1 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 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 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 63163 1 0 M END