HMDB0045466 RDKit 3D TG(18:0/O-18:0/20:3n6) 174173 0 0 0 0 0 0 0 0999 V2000 3.1026 10.2611 -4.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 9.3049 -3.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5313 8.2038 -4.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 7.2772 -3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9517 6.1432 -4.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 5.2988 -3.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2995 4.0438 -3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 3.2933 -3.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1246 2.1801 -4.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 0.9238 -4.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6195 0.4892 -3.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7908 -0.2973 -4.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -1.5293 -4.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8046 -2.2563 -3.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4757 -2.6102 -2.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 -1.3085 -2.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -1.3976 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 -1.9450 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5985 -2.0064 0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -0.6716 1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -0.6834 1.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7075 0.5145 0.6286 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 1.7898 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4251 2.8293 0.1575 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7330 3.0778 1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 2.0248 1.3816 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 2.3792 2.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7169 3.6233 2.5284 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 1.4596 2.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 0.0461 2.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 -0.3832 3.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 -0.1515 4.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8823 -0.5292 5.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3595 -1.8896 5.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1013 -3.0006 6.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 -3.4148 5.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8597 -4.6142 6.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -5.7847 6.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 -6.4029 4.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2203 -6.8919 4.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3207 -7.4628 3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 -8.6526 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1183 -8.6459 2.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 -9.9897 2.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0269 -11.1388 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 4.1031 0.0858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3611 4.3760 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 5.7479 -1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0132 6.2622 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3239 5.6178 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5181 4.3058 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9887 3.9179 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3278 2.6404 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7932 2.3851 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3653 1.2178 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7925 -0.1140 0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8674 -0.6025 -0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2514 -0.6918 -1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3492 -1.2113 -2.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7726 -0.5199 -3.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3362 -0.2372 -3.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4367 -1.4355 -3.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0003 -0.9842 -3.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0452 -2.1603 -3.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 9.8533 -5.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5404 11.2603 -4.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 10.3281 -4.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6341 9.8690 -3.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1538 8.8776 -2.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 7.6927 -5.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2834 8.6512 -5.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4741 6.8167 -2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9448 7.9032 -2.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 5.6910 -4.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7721 6.6949 -4.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2639 5.8032 -2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8045 3.4997 -2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 3.0367 -3.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 3.9072 -4.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9974 2.4575 -5.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4224 0.1348 -4.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 -0.1040 -2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 1.3100 -3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 0.2104 -5.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 -1.9977 -5.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1954 -3.2607 -3.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 -1.7902 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7272 -3.0572 -1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8981 -3.3387 -2.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -0.8631 -3.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -0.5926 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2265 -2.0417 -1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.4161 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -1.4124 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 -3.0170 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 -2.6002 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 -2.5697 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 1.7626 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 1.9712 1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2082 2.4543 -0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 3.4802 2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 3.9492 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8967 1.6712 3.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6218 1.6715 2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 -0.6226 2.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 -0.2416 1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8984 -1.4636 2.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1737 0.1258 2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2299 0.9817 4.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -0.5500 5.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 0.1803 5.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0111 -0.1983 6.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 -2.2015 4.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 -1.8308 6.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -2.8529 7.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3939 -3.8972 5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -3.7760 4.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2164 -2.6543 5.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 -4.8779 6.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 -4.2845 7.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9468 -5.6914 6.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 -6.6017 6.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -7.2902 5.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 -5.7739 4.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 -6.0601 4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5291 -7.6891 5.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -6.6539 2.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4485 -7.6330 2.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 -8.9014 1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9448 -9.5879 3.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 -8.5910 3.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -7.8736 1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9344 -10.1064 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4919 -9.9144 2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 -12.0317 2.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 -11.3862 2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6867 -10.9703 3.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1034 3.6448 -1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 4.2296 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9753 5.9932 -2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0024 6.4879 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6841 6.3909 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1143 7.3735 -0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 6.3582 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7381 5.5356 -1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4102 4.4826 1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 3.4965 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6674 4.7285 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1707 3.7237 -1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7066 1.8508 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1245 2.7093 1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9810 2.3744 -0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3271 3.2941 0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4719 1.2688 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2315 1.4167 2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2050 -0.9198 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -0.0983 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1340 -0.0786 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4527 -1.6622 -0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8323 0.2572 -1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8248 -1.4213 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4729 -1.3292 -2.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0493 -2.3037 -2.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0804 -1.0382 -4.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3041 0.4774 -3.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9325 0.6596 -3.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2009 0.0727 -4.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5502 -2.0267 -2.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6036 -2.1437 -4.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8801 -0.4847 -4.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7186 -0.2622 -3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4743 -2.2537 -4.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6646 -3.0640 -3.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3027 -2.0026 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 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 24 46 1 0 46 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 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 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 23 98 1 0 23 99 1 0 24100 1 6 25101 1 0 25102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 45137 1 0 47138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 53151 1 0 54152 1 0 54153 1 0 55154 1 0 55155 1 0 56156 1 0 56157 1 0 57158 1 0 57159 1 0 58160 1 0 58161 1 0 59162 1 0 59163 1 0 60164 1 0 60165 1 0 61166 1 0 61167 1 0 62168 1 0 62169 1 0 63170 1 0 63171 1 0 64172 1 0 64173 1 0 64174 1 0 M END