HMDB0298105 RDKit 3D DG(20:3(5Z,11Z,14Z)-O(8,9)/0:0/a-25:0) 140140 0 0 0 0 0 0 0 0999 V2000 -15.0047 0.2029 1.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3409 -0.5405 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4840 0.4104 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8148 -0.1457 -1.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8862 -1.0957 -2.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5824 -2.3302 -1.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3858 -2.7646 -1.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0905 -2.1198 -1.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3381 -1.8471 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9110 -0.6581 -0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0540 0.6232 -1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7165 1.6501 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8843 2.9284 -0.7242 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9973 2.8285 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5667 3.1806 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1321 3.4430 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2191 2.8166 -1.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3443 1.7050 -1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3688 0.9911 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3656 -0.1814 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9529 0.2492 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0669 -0.6181 -0.7365 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4735 1.5152 -0.2134 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1344 1.8650 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2468 1.2762 0.7253 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1788 -0.1247 0.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7966 1.7221 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.0860 1.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 1.3012 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 2.1683 3.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 0.5995 3.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -0.4355 3.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9829 -1.4872 2.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 -2.6197 2.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 -2.0822 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 -3.2374 1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 -3.0119 0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7301 -2.1683 -0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4812 -0.7183 -0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1638 -0.0081 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6275 -0.2700 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3489 0.2232 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8413 -0.0975 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0753 -1.5629 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5279 -1.9451 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1768 -1.3935 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6000 -1.7665 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5872 -1.2937 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9467 0.1187 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0150 1.1879 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3530 1.1212 -1.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3693 1.1131 -2.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5606 2.4215 -1.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5258 3.6076 -1.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8106 1.2757 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8304 0.1613 2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0640 -0.1756 2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5700 -1.2845 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3068 -1.0727 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3424 1.1245 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6093 1.1086 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8199 -0.6554 -1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9338 0.7272 -2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9770 -0.5685 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4144 -1.4035 -3.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4316 -2.9467 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3401 -3.7364 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4711 -2.9306 -2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2085 -1.2949 -2.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1107 -2.6782 0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3434 -0.5582 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1044 0.9421 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6893 0.3982 -1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6054 1.2941 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4407 3.2307 1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4332 4.1802 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9717 2.4838 0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6728 4.2977 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0936 3.2534 -2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4897 0.9191 -2.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2758 2.0555 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9118 1.6849 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3045 0.5224 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4994 -0.6527 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6488 -0.9034 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7091 1.6299 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 2.9914 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 1.6120 1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -0.3639 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4414 1.4115 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 2.8063 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 1.3491 4.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0205 0.1057 4.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4223 0.1072 2.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0781 -0.9013 4.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6357 -1.0671 1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0392 -1.8370 3.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 -3.3477 1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 -3.2017 3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 -1.5331 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6804 -1.4838 2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -3.9639 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -3.8445 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0532 -2.8064 1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7993 -4.0790 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7992 -2.3573 -0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 -2.5736 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 -0.3788 -0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9351 -0.2683 -1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0246 1.0950 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6619 -0.1768 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8204 -1.3911 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1050 0.2072 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9276 -0.2369 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2844 1.3345 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3068 0.3025 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2857 0.4825 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6196 -2.0479 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6513 -2.0177 -1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5001 -3.0794 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 -1.7858 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6233 -1.8813 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0109 -0.3213 0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6388 -2.9063 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 -1.4635 2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5591 -1.8584 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3494 -1.6575 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4908 0.4563 0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8025 0.1785 -0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6592 2.1502 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2526 1.4713 0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 0.3182 -1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3516 1.4580 -2.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0473 1.8251 -3.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4616 0.1188 -3.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7866 2.5605 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1010 2.4585 -2.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0303 4.4420 -2.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6540 3.9685 -0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4440 3.3606 -2.3561 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 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 14 12 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 1 26 89 1 0 27 90 1 0 27 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 52133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 54140 1 0 M END