HMDB0049385 RDKit 3D TG(18:1(11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 187186 0 0 0 0 0 0 0 0999 V2000 11.3503 -1.7781 -2.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6547 -1.9125 -3.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1021 -0.7979 -4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2724 0.0764 -5.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8131 -0.0047 -4.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0825 -0.2213 -6.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1828 0.5507 -6.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6064 1.8302 -6.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 1.5360 -6.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4376 1.7277 -5.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 2.2483 -3.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9149 2.7551 -3.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5409 2.3175 -2.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0955 1.1874 -1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2828 0.2500 -1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9524 -0.0435 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6556 0.4734 1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5022 -0.7200 2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 -1.0899 2.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1742 -0.3489 2.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 0.0334 4.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 0.6701 4.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7646 0.5054 5.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 1.4122 3.1084 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.9859 3.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 0.9535 3.0059 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7298 1.3795 2.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 0.2114 1.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2068 -0.0291 0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 0.8906 0.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -1.4061 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5094 -1.5105 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5063 -2.9254 -1.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 -3.9327 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -5.3453 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8805 -6.3312 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 -6.4487 1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7576 -7.0177 1.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4656 -6.7674 0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1468 -6.8584 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 -6.0042 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -4.7354 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 -3.6017 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1307 -2.3124 -1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 -1.1318 -1.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 0.1455 -1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7799 1.3533 -2.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 0.0458 4.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -1.3168 3.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 -1.7385 2.7976 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 -2.2904 4.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 -2.9729 4.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2052 -1.9711 4.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5247 -2.6752 4.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6747 -1.7592 4.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0044 -2.4375 4.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 -2.7055 3.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1655 -1.3921 2.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4188 -0.6436 2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 0.6814 1.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2441 0.5898 0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4105 1.8004 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6483 3.0475 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 3.6661 1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1846 3.9120 2.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7433 3.6357 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9043 4.7887 2.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8207 6.0167 1.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2943 5.9791 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1869 7.3881 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4036 8.1931 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4306 7.7762 -1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0588 6.4534 -0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8037 -2.4440 -1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4250 -2.0349 -2.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 -0.7363 -2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6205 -2.0666 -3.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1541 -2.8442 -4.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1875 -0.6732 -4.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6195 0.9136 -5.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5532 1.0409 -4.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 -0.7546 -4.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 -1.1529 -6.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 0.2186 -7.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0909 1.9821 -5.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 2.5974 -6.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 1.0932 -7.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 1.4210 -5.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8824 3.1198 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 1.5367 -2.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4136 3.6140 -3.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5032 2.7644 -1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 0.6571 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9419 1.6138 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5931 -0.2055 -2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8044 -0.7294 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6469 0.9458 1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8711 1.2053 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4143 -1.3649 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4711 -2.0458 3.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 0.6064 2.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3403 -0.9392 2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7909 -0.8568 4.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5579 0.7327 4.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 2.6936 3.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 2.6171 2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 0.2585 2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 2.2173 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 1.7084 2.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 -2.0489 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 -1.8370 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3913 -0.7800 -1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4774 -1.4080 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -3.0520 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 -2.9628 -2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6634 -3.8712 0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8309 -3.8398 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 -5.3925 -1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 -5.4048 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9965 -6.1871 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -7.3559 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 -5.4022 1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7762 -7.0185 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 -8.2112 1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5768 -7.0900 2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 -7.3977 1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1399 -5.7249 1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4956 -7.7811 -0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 -6.2574 -2.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9154 -4.4980 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2013 -4.7567 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5483 -3.6218 -1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 -3.7831 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9017 -2.1891 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 -2.4456 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4302 -1.1263 -2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 -1.2595 -3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 0.3179 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3519 0.0948 -1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 1.1266 -3.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2615 1.6380 -1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 2.2016 -1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -3.0473 4.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2841 -1.7919 5.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -3.7266 5.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1272 -3.5368 3.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 -1.5864 6.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 -1.1589 4.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 -3.6330 5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 -2.9668 3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5204 -0.8359 4.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6968 -1.5010 6.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8435 -1.8337 4.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0239 -3.4213 5.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0590 -3.2501 2.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2484 -3.2726 2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2712 -1.7019 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2324 -0.8395 2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5223 -0.4202 3.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3242 -1.2465 2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4194 1.1786 2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6507 1.2986 2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 0.1361 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9787 -0.1795 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1782 1.5342 -1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5163 2.1057 -0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9409 3.8099 -0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5547 2.9127 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0543 3.9537 1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 4.3835 3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6212 2.8814 3.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3624 3.0562 1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2294 5.0999 3.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 4.3723 2.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7903 6.6184 1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1152 6.7163 2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 5.5910 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8631 5.3776 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 7.3915 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4997 7.9722 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8482 8.3353 0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1136 9.2562 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0431 7.8535 -2.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2374 8.5640 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1136 6.1045 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1598 6.5445 -1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6991 5.6664 -1.6760 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 1 0 29 30 2 0 29 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 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 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 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 2 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 70179 1 0 70180 1 0 71181 1 0 71182 1 0 72183 1 0 72184 1 0 73185 1 0 73186 1 0 73187 1 0 M END