HMDB0055887 RDKit 3D TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/O-18:0) 178177 0 0 0 0 0 0 0 0999 V2000 4.7076 -3.1514 -5.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -2.2019 -4.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1147 -2.9706 -3.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3658 -2.7221 -2.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3798 -1.6253 -2.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 -0.6535 -1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 -0.3224 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6298 -0.8872 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6242 0.1874 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 0.2695 -0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 -0.7889 -1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 -0.4186 -3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7532 -0.5579 -3.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0375 -1.1200 -3.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 -2.3101 -4.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5915 -3.4920 -3.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4691 -3.6981 -2.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7948 -4.1583 -1.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5474 -4.2224 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7987 -4.5587 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8902 -3.5612 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4563 -2.1562 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0229 -1.2615 -0.2296 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4956 -1.6824 1.3621 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1351 -0.3146 1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3034 0.5967 1.7965 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7291 0.3688 3.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 0.6511 4.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8645 0.3602 5.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 0.8567 6.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3608 0.3361 5.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3266 0.9391 6.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9548 0.5014 6.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 0.8314 4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9421 0.4531 4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 -0.9911 5.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7135 -1.3548 4.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4982 -0.5718 5.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9428 -0.7594 5.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 -0.5737 4.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8472 -1.5220 3.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1226 -2.9478 4.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1628 -3.9541 3.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2015 -3.8703 2.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6181 -4.0691 2.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -3.0950 3.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7539 1.9248 1.7245 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0608 2.7532 0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8256 2.2828 -0.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5163 4.1327 0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 4.6053 -0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0537 6.0017 -1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 6.2043 -0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 5.3306 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3609 5.7854 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3497 6.2811 -1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1573 6.5032 -2.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0924 5.7886 -2.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 4.8331 -3.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 4.2790 -4.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4328 4.4447 -5.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 3.4178 -6.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 2.0028 -6.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 1.3042 -7.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1501 0.2688 -7.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -0.2343 -7.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 -1.6261 -7.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8113 -2.6575 -7.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -2.5659 -9.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 -3.4462 -10.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 -3.7164 -5.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 -2.5162 -6.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 -3.7982 -5.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1491 -1.8591 -4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3873 -1.3747 -4.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8412 -3.8096 -3.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 -3.3697 -1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 -1.1345 -3.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -2.1088 -1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7263 -0.1625 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3434 0.4190 0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 -1.1691 1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 -1.8211 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7749 1.0175 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 1.1512 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -1.3344 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 -1.5837 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 0.0114 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7366 -0.2558 -4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2161 -1.1106 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 -0.3235 -3.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4968 -2.2152 -5.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8602 -4.3350 -4.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7514 -4.5739 -2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1359 -2.9141 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0204 -5.1880 -1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 -3.5144 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7965 -5.0232 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1704 -3.2353 0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5495 -4.5934 1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1467 -5.5571 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2982 -3.7878 -0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7236 -3.7433 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3886 -0.2139 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 0.0853 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0844 0.5346 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5384 1.0648 3.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0224 -0.7000 3.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0729 -0.7286 5.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8043 0.8780 5.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8908 0.5085 7.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 1.9633 6.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3279 -0.7600 5.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1374 0.6419 4.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3579 2.0593 6.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5594 0.6997 7.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 1.0117 7.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 -0.5984 6.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 0.3295 4.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 1.9236 4.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 0.6454 3.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 1.1527 5.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9861 -1.2748 6.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 -1.6447 4.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.9765 3.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8328 -2.4322 4.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2888 0.5380 5.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 -0.6934 6.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1117 -1.7435 6.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 -0.0160 6.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7571 0.4663 4.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 -0.5395 5.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 -1.1722 2.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9361 -1.5175 3.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -2.9149 4.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2138 -3.2035 4.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2449 -4.9611 3.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1677 -3.9756 2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9163 -4.5866 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0641 -2.8568 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8474 -5.1343 2.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2419 -3.9440 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6699 -2.1172 3.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2387 -2.8373 3.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1756 -3.5150 4.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1651 4.8169 1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4996 4.2427 0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 3.8970 -1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6593 4.6475 -1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0993 6.3534 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7328 6.6974 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 6.0777 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 7.2827 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5697 5.5361 -2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 4.2882 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 5.6599 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 6.5946 -0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 6.3283 -3.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 7.6365 -2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 6.1334 -2.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1941 4.3343 -3.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2336 3.2893 -4.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 4.9143 -4.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 5.4374 -6.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 3.5814 -7.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 1.6316 -6.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 1.8843 -5.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 1.6946 -6.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9424 -0.2016 -8.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 0.4156 -7.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 -0.3067 -8.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0053 -1.8484 -6.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8476 -3.6712 -7.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -1.5833 -9.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3624 -3.0313 -9.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -2.8866 -10.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -4.2731 -9.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1398 -3.9275 -11.0588 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 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 45 46 1 0 26 47 1 0 47 48 1 0 48 49 2 0 48 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 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 20101 1 0 21102 1 0 21103 1 0 25104 1 0 25105 1 0 26106 1 6 27107 1 0 27108 1 0 29109 1 0 29110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 42135 1 0 42136 1 0 43137 1 0 43138 1 0 44139 1 0 44140 1 0 45141 1 0 45142 1 0 46143 1 0 46144 1 0 46145 1 0 50146 1 0 50147 1 0 51148 1 0 51149 1 0 52150 1 0 52151 1 0 53152 1 0 53153 1 0 54154 1 0 54155 1 0 55156 1 0 56157 1 0 57158 1 0 57159 1 0 58160 1 0 59161 1 0 60162 1 0 60163 1 0 61164 1 0 62165 1 0 63166 1 0 63167 1 0 64168 1 0 65169 1 0 66170 1 0 66171 1 0 67172 1 0 68173 1 0 69174 1 0 69175 1 0 70176 1 0 70177 1 0 70178 1 0 M END