HMDB0052359 RDKit 3D TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) 183182 0 0 0 0 0 0 0 0999 V2000 -0.4360 1.0274 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 2.4249 -3.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2048 3.2646 -1.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3666 3.8166 -1.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4685 3.6559 -2.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8877 4.9390 -3.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0448 5.5287 -3.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1942 4.9449 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3743 4.7634 -3.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9426 3.6400 -3.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5442 2.2692 -3.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6753 1.7565 -2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6123 1.3830 -1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3046 1.4576 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9227 0.1138 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6382 -0.1967 1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6447 0.7898 2.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1988 0.8481 2.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8711 1.7275 4.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3022 1.6392 4.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6993 2.2786 2.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 2.1519 2.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 2.7322 1.6475 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2807 1.5105 3.4698 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9892 1.4964 2.9686 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4330 0.1231 2.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 -0.8724 3.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -2.1756 3.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1256 -2.3831 2.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 -3.3278 4.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 -3.5814 5.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 -2.5426 6.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 -2.3051 7.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -3.5345 7.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8697 -4.1955 8.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -3.7516 7.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -3.4972 8.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 -4.1436 8.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -5.2344 7.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1799 -6.4284 8.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4829 -7.5068 8.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -7.7365 7.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -8.8953 6.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -8.8126 5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 -7.6151 4.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 -7.8972 3.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1302 2.1586 3.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1734 2.0542 2.8431 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4541 2.4284 2.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 3.1036 3.6098 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 2.0474 1.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 3.1282 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 2.5569 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 3.5711 -1.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6379 2.9766 -2.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3802 2.5532 -3.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 3.7379 -3.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0694 4.7787 -4.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 4.4334 -5.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 4.3688 -6.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 3.5340 -6.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1754 2.0665 -6.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 1.3951 -6.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -0.0576 -6.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3685 -0.9025 -7.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5512 -0.6071 -8.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1752 -1.1452 -8.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7939 -0.7114 -7.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4599 -1.1033 -5.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3562 -2.6305 -5.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 -2.8579 -4.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1136 -4.3277 -3.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4259 -4.4493 -2.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 0.6009 -1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1633 0.3392 -3.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 1.1389 -1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5085 2.2350 -3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1188 2.8239 -3.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4619 3.4588 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6036 4.4430 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3258 3.2367 -2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1811 2.9159 -3.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 5.4851 -3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1796 6.4999 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5230 5.7044 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9833 4.0003 -2.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7891 5.7027 -3.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8384 3.6878 -4.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5626 2.2542 -2.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5942 1.6516 -4.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6799 1.6787 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4491 1.0096 -0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 1.7975 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5057 2.1934 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8831 -0.6697 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3549 -1.2385 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3221 0.3792 3.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9835 1.7754 2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0285 -0.2330 3.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5354 0.9684 2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3027 1.4559 5.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0371 2.7945 3.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0257 0.5674 4.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0029 2.0804 5.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2301 2.0203 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9582 3.4106 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 2.0846 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 0.1508 2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7528 -0.1749 1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 -4.2520 3.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 -3.3222 4.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -4.5346 5.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 -3.7947 4.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -1.5828 5.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 -2.9281 6.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 -1.7884 6.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -1.5820 7.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8751 -3.9628 8.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -5.1422 8.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3058 -2.8035 6.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 -4.4825 6.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1981 -2.7117 9.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2562 -3.8784 9.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 -5.3973 6.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9948 -4.8750 7.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9669 -6.3907 9.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 -8.3387 9.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -8.0081 8.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 -6.8763 6.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8684 -9.8727 7.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 -9.7458 4.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5916 -7.5508 3.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -6.6896 4.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 -8.4874 4.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0198 -6.9585 3.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8593 -8.5543 2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3534 1.6814 4.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8354 3.2290 3.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 1.2198 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4896 1.5675 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9094 3.3600 1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4491 4.0724 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6565 2.0748 -1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2231 1.7257 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8171 4.5645 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2411 3.7289 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 2.0706 -2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2015 3.6785 -3.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 1.7528 -2.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 2.1612 -4.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4665 3.4398 -3.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 4.1792 -2.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9964 5.1695 -3.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 5.6635 -4.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 3.4520 -6.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0483 5.2043 -6.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5512 4.2065 -7.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 5.4517 -6.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3207 3.9685 -5.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 3.6469 -7.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 1.7568 -5.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5881 1.6684 -7.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1182 1.7098 -7.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3656 1.8411 -5.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 -0.4791 -5.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5407 -1.9802 -6.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 0.4942 -8.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 -1.0924 -9.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2996 -0.9405 -9.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -2.2863 -8.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 0.4077 -7.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8309 -1.1485 -7.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3151 -0.8112 -5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 -0.6627 -5.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 -3.0163 -5.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4029 -3.0626 -6.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 -2.2539 -3.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9368 -2.4880 -3.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 -4.8057 -4.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9515 -4.7460 -4.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 -5.4571 -2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5341 -4.1484 -1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2547 -3.7847 -2.0995 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 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 2 0 28 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 25 47 1 0 47 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 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 6 26108 1 0 26109 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 38123 1 0 39124 1 0 39125 1 0 40126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 72180 1 0 73181 1 0 73182 1 0 73183 1 0 M END