HMDB0042267 RDKit 3D TG(14:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z)) 175174 0 0 0 0 0 0 0 0999 V2000 -3.1615 -3.0419 6.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 -4.2704 6.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -5.2255 5.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2213 -5.6169 4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 -5.1608 3.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2005 -6.3178 2.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6475 -6.7181 1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7751 -6.0048 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 -5.5624 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2471 -4.3485 -0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7628 -3.2041 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8946 -2.6743 -0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9523 -1.4759 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 -0.4530 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6485 0.6664 -0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8207 1.8474 -0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 2.2416 -2.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4606 3.4630 -2.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 3.3752 -1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5371 4.6717 -1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9552 5.5394 -2.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 5.0704 -0.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9798 6.3913 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0597 6.7793 0.3918 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4997 8.2192 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 8.0485 -1.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 9.0054 -2.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6904 10.1756 -1.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 8.6780 -3.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6821 8.2320 -3.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2388 7.8803 -4.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6772 7.4051 -4.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 6.1814 -3.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 5.0199 -4.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1712 3.8937 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 2.6504 -3.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 1.6247 -2.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 0.3212 -2.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4551 0.5247 -2.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 1.0957 -1.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 1.2618 -1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2559 6.0476 0.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 5.3836 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1204 5.4093 2.5394 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1037 4.6593 1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 3.7773 2.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4714 3.0988 2.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 2.2208 3.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 1.0067 4.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4837 1.0674 4.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9016 -0.3615 4.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4366 -0.3767 4.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2578 0.4352 3.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 0.3749 3.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 -0.9300 3.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1949 -1.7233 2.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 -2.2409 2.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 -3.0540 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 -3.5405 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -4.3329 -0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2285 -5.5982 -0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -6.3424 -2.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 -7.6279 -2.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 -8.3663 -3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 -7.5582 -4.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 -7.2286 -4.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9981 -6.4092 -5.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2981 -2.3569 6.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9624 -2.5215 6.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4835 -3.3379 7.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8681 -4.7648 6.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 -4.0007 5.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2432 -5.6303 6.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0608 -6.3481 4.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 -4.5677 3.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3565 -4.4704 2.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 -6.8785 3.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 -7.6103 1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5692 -6.8123 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2067 -5.2906 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8732 -6.3500 -1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8568 -4.0782 -1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1749 -3.5072 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8935 -2.5336 0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7031 -3.4182 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8359 -1.1322 -1.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1241 -0.7325 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5009 -0.0793 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 0.4776 0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3811 2.6172 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2708 2.6424 -2.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8863 1.4667 -2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 3.8550 -3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 4.2727 -1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 2.5312 -1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5548 3.1730 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 6.5100 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8872 7.0531 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3787 6.8074 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 8.6282 0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4037 8.8470 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6272 7.8385 -3.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1616 9.5548 -4.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 9.0954 -2.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 7.4004 -2.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2438 8.8065 -5.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 7.0885 -5.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 8.1902 -4.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9903 7.1270 -5.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4762 6.3793 -2.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8318 5.8099 -3.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 5.2581 -4.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 4.6617 -5.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8575 4.2695 -2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2238 3.5975 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2735 2.8698 -3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 2.2918 -4.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7685 1.4480 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.1005 -1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2416 -0.1845 -3.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -0.3034 -1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 1.1341 -3.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9791 -0.4853 -2.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 2.0859 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 0.4149 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0396 0.9918 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 0.6756 -2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 2.3290 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 3.9745 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 5.3679 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 3.0467 2.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9611 4.4547 3.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2781 3.9033 2.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 2.5351 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 1.9440 3.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7424 2.8768 4.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 0.3324 3.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4592 0.4102 4.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8328 1.6954 3.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 1.4227 5.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 -0.8186 3.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4846 -0.9388 5.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2314 0.0006 5.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0939 -1.4387 4.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0588 1.5400 4.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2404 0.3520 2.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1853 1.1857 3.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 0.7365 4.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 -1.5186 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5237 -0.7389 3.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8992 -2.6020 2.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 -1.1290 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 -1.5653 1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6298 -3.0538 2.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.4013 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6299 -3.8956 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 -2.5925 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 -4.0467 1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3864 -3.7659 -1.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6616 -4.6942 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3075 -5.3948 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0978 -6.2329 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 -6.5265 -2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4932 -5.6753 -2.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 -8.2455 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -7.3820 -1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -9.3252 -3.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4345 -8.6771 -3.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9416 -8.1687 -5.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -6.6117 -4.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7757 -6.6424 -3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1144 -8.2059 -4.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8673 -5.7730 -5.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2987 -7.0736 -6.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 -5.7806 -5.9992 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 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 24 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 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 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 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 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 41128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 67175 1 0 M END