HMDB0049827 RDKit 3D TG(18:1(9Z)/24:0/18:3(6Z,9Z,12Z)) 183182 0 0 0 0 0 0 0 0999 V2000 0.3528 1.2680 -5.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 1.8994 -6.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5595 1.8867 -8.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6791 2.5855 -8.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 2.2253 -7.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 0.8244 -8.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6799 -0.0380 -7.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 0.1908 -5.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2047 -0.1864 -5.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0299 0.6553 -4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9024 2.0539 -4.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0412 2.5504 -3.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1683 1.9766 -1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1845 0.5345 -1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0776 0.2651 -0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 0.8801 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 0.6359 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4431 1.3660 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 2.1364 -1.5522 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7332 1.2106 0.0542 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 1.6342 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8219 1.3046 -1.2468 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6123 2.2859 -2.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 2.3869 -3.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 2.6663 -3.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2668 2.7828 -2.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6495 2.8088 -4.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7962 3.7428 -4.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 5.1723 -4.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7622 5.5033 -2.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5291 7.0168 -2.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 7.3226 -1.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5435 6.5041 -1.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 6.8222 -2.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 7.2186 -2.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 7.4155 -0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4818 6.4801 -0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 6.4254 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 5.9525 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 6.6997 2.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0517 8.1580 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 8.7957 3.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 8.0812 4.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 -0.0613 -1.4422 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 -1.0511 -1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7659 -0.7031 -0.8601 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 -2.5044 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 -2.9234 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 -2.7709 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -3.0347 2.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 -4.4045 2.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 -4.5099 4.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2907 -3.5284 4.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 -3.5483 4.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 -2.3349 4.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 -2.2027 4.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1236 -3.3190 4.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5358 -3.0976 4.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5335 -4.0552 4.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3307 -5.4947 4.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2163 -6.0302 3.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0721 -7.5643 3.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 -7.9891 3.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 -7.5316 3.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 -8.1321 2.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -7.7252 1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -8.3202 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 -8.0476 -1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 -8.5376 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 0.3267 -5.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.9806 -4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 1.9596 -5.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 2.9415 -6.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 1.3387 -6.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3616 2.2920 -8.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 0.7978 -8.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 3.7111 -8.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8489 2.5321 -9.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 2.8482 -8.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0851 2.4997 -6.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2635 0.5530 -9.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9047 -1.0585 -7.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5162 1.1506 -5.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1503 -0.5796 -5.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5191 -1.2448 -5.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0466 0.2193 -4.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7055 2.5904 -5.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9359 2.5035 -4.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0453 3.7013 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2715 2.6283 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1262 0.2004 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9717 -0.0910 -2.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9422 -0.8309 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 0.7351 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 1.9616 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 0.3469 -2.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 0.9536 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4257 -0.4593 -0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9843 2.7805 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 1.3249 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9229 1.4630 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 2.0915 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 3.2876 -1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 1.8264 -4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 3.1839 -5.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4509 3.7275 -5.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 3.3737 -3.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5138 5.6839 -4.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0616 5.6952 -5.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2269 5.2241 -1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 5.0880 -2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9539 7.3595 -3.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 7.4940 -2.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 8.4037 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5522 7.0597 -0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 5.4431 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 6.7833 -0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0414 6.6997 -3.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 7.4266 -3.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 7.2285 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 8.4765 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1338 6.7434 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1422 5.4313 -1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9121 7.4103 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2163 5.7223 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 5.8998 2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 4.8625 1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2842 6.5269 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 6.2961 3.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3259 8.6842 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8928 8.2405 3.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8846 9.8320 3.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 8.7236 2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5553 7.7544 4.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 7.1652 4.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0982 8.6872 5.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -3.1208 -1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4043 -2.5478 -2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 -3.9822 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 -2.2375 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5457 -3.3345 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -1.6927 0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 -2.2625 2.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0767 -2.9131 3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3981 -5.1450 2.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7717 -4.5811 2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -5.5534 4.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -4.3705 4.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 -2.4732 4.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1844 -3.6930 5.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 -3.3532 2.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 -4.4148 4.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2052 -1.4068 4.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7718 -2.4541 5.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5822 -1.2149 4.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2849 -2.0870 3.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1923 -3.2262 5.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 -4.3078 4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8775 -2.0625 4.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5256 -3.0573 3.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 -3.8115 4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6781 -3.8794 5.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1932 -6.0724 5.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4471 -5.8855 5.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2552 -5.6741 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0616 -5.7395 2.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9923 -7.9934 3.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0415 -7.9131 2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9183 -7.7936 5.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8214 -9.1234 3.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 -7.9445 4.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4264 -6.4578 3.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 -7.7282 1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4224 -9.2315 2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -8.0406 2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 -6.6063 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -9.4519 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3074 -8.0556 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 -6.9345 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 -8.4527 -2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8215 -7.7233 -0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2019 -9.3591 -0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3773 -9.0088 -1.9424 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 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 1 0 38 39 1 0 39 40 1 0 40 41 1 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 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 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 0 21100 1 0 22101 1 1 23102 1 0 23103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 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 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 43136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 68179 1 0 68180 1 0 69181 1 0 69182 1 0 69183 1 0 M END