HMDB0048060 RDKit 3D TG(14:1(9Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) 179178 0 0 0 0 0 0 0 0999 V2000 -2.7376 1.7060 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 2.1549 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 2.8042 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2446 3.3774 0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 4.3621 1.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 4.2831 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0023 3.1304 3.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 3.4599 4.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9105 4.2125 4.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 3.9173 4.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7205 4.2244 2.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 5.7221 2.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 6.3109 1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 6.2557 0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 6.9761 -0.4823 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 5.6505 -0.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7252 5.8903 -2.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5699 5.1138 -2.7842 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7845 3.6857 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 3.1079 -3.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1018 1.7565 -2.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 1.2531 -1.9932 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1206 0.8450 -3.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4971 1.2858 -2.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 0.2768 -3.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4231 -1.0740 -2.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5717 -1.3472 -1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7056 -0.7445 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9299 -1.4300 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 -2.8828 0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -3.3641 1.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 -3.8823 2.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 -4.0376 2.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3934 -5.4468 2.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 -5.8507 3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7272 -4.9558 4.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 -4.6867 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -5.1170 3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3312 -6.0407 2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 -7.2836 2.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 -6.9608 2.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4084 -8.2654 2.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8993 -8.0024 2.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3647 5.5542 -2.1844 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 6.1216 -2.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 6.2647 -4.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9606 6.5946 -2.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 5.6566 -2.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 6.3083 -1.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5796 5.5513 -1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8282 4.3511 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7328 4.5460 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2434 3.4921 1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8689 2.1225 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5556 1.7268 2.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5524 0.2225 2.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3748 -0.3230 3.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0502 -0.4506 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -1.4936 1.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5543 -1.5723 1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 -1.4227 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -1.1482 -1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 -2.3285 -2.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 -2.4282 -2.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6603 -3.6195 -3.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 -3.7868 -4.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -2.6351 -5.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -2.3892 -6.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 -1.2349 -7.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 0.7706 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 1.5951 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4616 2.4511 -2.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 2.9044 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 1.3150 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2498 1.9626 -1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 3.5758 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 2.5568 1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 4.0225 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 5.2609 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0623 5.0882 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 2.4142 2.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9129 2.4986 3.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 2.4923 5.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 4.0378 5.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0397 4.2068 5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 5.3484 4.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 2.7661 4.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0513 4.2450 4.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7837 3.8416 2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1256 3.7260 2.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3056 6.1285 3.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 6.1761 2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6873 5.9362 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 7.4331 1.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 6.9458 -2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 5.4324 -2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 5.3612 -3.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 3.0349 -2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 3.4412 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 -0.2224 -3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 0.8617 -4.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6765 1.6776 -1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6955 2.1848 -3.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3801 0.1845 -4.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 0.7148 -3.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2325 -1.6992 -3.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4838 -1.5323 -3.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6456 -1.1096 -1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5685 -2.4720 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6575 0.3541 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 -0.8288 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5013 -3.3884 -0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7924 -3.1773 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1754 -3.2430 2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5503 -4.2376 3.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -3.7195 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 -3.3391 2.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -6.2083 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1765 -6.9348 3.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2356 -3.9620 4.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -5.4287 5.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 -3.9650 4.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 -4.7424 3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 -6.3596 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8262 -5.5965 1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0382 -8.0585 1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 -7.7561 3.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9511 -6.2619 3.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0146 -6.6286 1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2259 -9.0370 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -8.6931 3.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1287 -6.9198 2.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3655 -8.4569 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4433 -8.4107 1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 6.8629 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2938 7.5755 -2.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 5.4699 -3.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 4.6565 -1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4805 7.2590 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 6.6955 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8205 5.2494 -2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4579 6.2726 -1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8585 3.9946 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1526 3.5254 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6872 4.9040 1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3435 5.4817 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3333 3.9348 2.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3991 3.4516 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0704 1.4690 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 1.6512 2.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4975 2.1683 3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 2.1300 1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7847 -0.3079 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 0.0236 3.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2014 0.2872 4.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 -1.3789 3.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 -0.8212 3.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5945 0.4969 2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 -2.4736 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 -1.3758 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 -1.7845 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9629 -1.5075 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 -0.2549 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 -1.0468 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6456 -2.3323 -2.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0477 -3.2330 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7752 -1.4718 -3.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 -2.6003 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 -3.5615 -4.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4672 -4.5113 -3.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 -3.8979 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 -4.7615 -4.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 -2.9184 -5.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6524 -1.7400 -4.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 -3.2774 -6.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6361 -2.1810 -5.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 -1.5729 -8.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -0.4374 -7.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -0.8265 -6.4949 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 18 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 2 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 6 80 1 0 7 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 9 86 1 0 10 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 17 95 1 0 17 96 1 0 18 97 1 6 19 98 1 0 19 99 1 0 23100 1 0 23101 1 0 24102 1 0 24103 1 0 25104 1 0 25105 1 0 26106 1 0 26107 1 0 27108 1 0 27109 1 0 28110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 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 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 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 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 68175 1 0 68176 1 0 69177 1 0 69178 1 0 69179 1 0 M END