HMDB0052775 RDKit 3D TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) 165164 0 0 0 0 0 0 0 0999 V2000 1.6683 -5.4642 -9.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 -4.0764 -9.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 -3.3924 -9.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4081 -2.2578 -8.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -1.4931 -8.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5721 -0.1295 -8.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.9395 -7.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8803 0.8648 -6.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0775 1.5647 -6.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 2.4990 -5.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 2.9171 -4.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 2.5007 -3.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 3.1917 -2.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 4.6597 -2.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 4.9278 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0741 6.3619 -1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4671 6.4816 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4937 5.5620 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8329 5.6223 1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8348 4.5358 2.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7133 3.9423 2.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 4.0903 3.2808 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 2.9782 4.1409 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3649 1.7704 3.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0097 0.6269 4.3288 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3883 -0.6459 3.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0374 -0.6995 2.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0359 -1.8445 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4272 -3.1053 3.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1607 -4.3689 4.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6273 -5.5111 3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9378 -6.5472 3.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -6.8603 3.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7508 -7.1156 2.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -6.4797 2.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0585 -5.3849 3.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -5.8295 3.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 -5.3334 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7738 -4.2410 2.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 -3.4023 1.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1791 -3.2887 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 -4.0148 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2238 -3.0720 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2085 -3.8719 -1.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9853 -4.8883 -0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8119 -4.3142 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 3.2238 5.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 4.1300 5.9884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6461 4.5371 7.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 4.0711 8.1169 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5905 5.4303 7.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 5.9699 6.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 4.9186 5.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 4.0035 6.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4781 2.9657 5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 2.1564 5.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 1.0992 4.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 0.4407 3.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 0.4499 2.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4024 1.1180 1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 -0.0127 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 0.0594 -0.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6426 1.1849 -1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0746 0.7541 -1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1288 -0.3237 -2.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5982 -0.6936 -2.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4148 0.4652 -3.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7174 -5.8525 -8.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -5.3618 -8.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0383 -6.1789 -9.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1872 -4.3132 -10.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -3.5276 -9.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -3.8353 -9.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5138 -1.8140 -8.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0211 -1.6302 -7.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 -1.9743 -8.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4144 -0.0013 -9.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5899 1.9516 -8.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 -0.2192 -6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 1.0774 -5.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0307 1.2441 -6.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0075 2.9663 -4.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 2.5039 -4.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 4.0369 -4.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 1.4008 -2.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 2.6909 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 5.1125 -1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 5.1531 -3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 4.3617 -1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4247 4.4717 -0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1354 6.9138 -2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 6.8772 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 7.5259 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2167 6.2659 -1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3381 4.4821 0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 5.7535 1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9173 6.5698 2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 5.4472 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5766 2.6911 4.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4437 1.8753 3.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9148 1.5883 2.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5354 -1.8856 5.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 -1.8221 4.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8107 -3.1335 2.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5008 -3.0805 3.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0717 -4.4401 4.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7394 -4.4104 5.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6742 -5.4722 3.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4942 -7.2950 2.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -7.9107 4.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 -6.1908 4.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1467 -7.9399 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1823 -6.7829 1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7198 -5.1258 3.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.4477 2.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 -6.7194 4.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2374 -5.8703 3.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7449 -4.5768 2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 -3.5286 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 -2.7379 2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -2.6126 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 -4.8552 0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 -4.4574 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -2.4390 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -2.4007 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 -4.4472 -2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9456 -3.2385 -2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6829 -5.3664 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3943 -5.7471 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5154 -3.3003 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8800 -4.2699 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 -4.9519 1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7871 3.7858 5.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 2.2996 6.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0574 6.2924 8.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0273 4.8210 8.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3174 6.5863 6.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 6.6233 7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7152 5.4874 5.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 4.4377 5.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3332 3.4422 7.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 4.5510 7.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 3.5175 5.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1747 2.3508 6.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5038 2.7023 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 1.5203 6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 0.3973 4.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2584 1.6401 3.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.0953 4.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0055 -0.0603 2.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 1.4934 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1091 1.8740 1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -0.8630 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6433 -0.8172 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5372 2.1270 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2437 1.4147 -2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6247 0.4796 -0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 1.6613 -1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7485 0.0018 -3.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5647 -1.2319 -2.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6554 -1.5899 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0232 -1.0007 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0819 0.9137 -2.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7897 1.2766 -3.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0918 0.1552 -4.0427 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 1 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 2 0 26 28 1 0 28 29 1 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 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 23 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 2 0 59 60 1 0 60 61 1 0 61 62 2 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 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 1 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END