HMDB0294822 RDKit 3D DG(20:3(5Z,11Z,14Z)-O(8,9)/13:0/0:0) 104104 0 0 0 0 0 0 0 0999 V2000 15.7360 -1.4981 1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4961 -2.1145 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2703 -1.8541 1.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9088 -0.4200 1.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6509 0.2969 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3079 1.6845 0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2555 2.3866 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0505 1.9354 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9597 0.6078 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1193 -0.3035 -0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1236 -0.1527 0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7537 -0.3897 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 -0.2969 0.5775 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 0.8095 -0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9711 0.8881 -1.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 2.0738 -1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8387 2.0727 -1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0435 0.8224 -1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 0.8034 -2.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 -0.4104 -2.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6595 -0.5755 -1.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 -1.5614 -2.0905 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 0.2699 -0.9007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 0.1109 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1371 0.2985 -0.6035 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2363 1.6621 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2004 2.6796 -0.3591 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2484 0.2015 0.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 -0.6565 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3288 -1.4193 -0.9264 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 -0.6887 1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3972 0.4283 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9834 0.3524 -0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7587 -0.7610 -1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0240 -1.2366 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2789 -1.8404 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0907 -1.1322 1.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7172 0.1167 2.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0593 0.5105 2.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3028 0.5304 1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1230 -0.5715 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6966 -1.5153 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9381 -0.5143 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6464 -1.4273 2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6419 -2.1267 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3968 -1.8210 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6669 -3.2144 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4502 -2.4483 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4419 -2.2931 2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 0.1486 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 -0.3714 2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -0.2657 -0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6839 0.3361 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1196 2.2767 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2636 3.4925 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1926 2.1164 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7872 2.6948 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6227 0.3549 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1503 -1.2857 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1358 0.7604 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2024 -1.0012 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -1.0679 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 1.7431 0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 -0.0756 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6682 0.9837 -2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6471 3.0536 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 3.0527 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 -0.0968 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3269 0.9297 -0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 1.7162 -2.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8947 0.9082 -3.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9916 -1.3395 -2.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 -0.3982 -3.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -0.9684 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6666 0.7692 0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2665 -0.4389 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 1.7472 -2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2374 1.6821 -1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7216 2.4478 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9834 -0.4429 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9537 -1.6465 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0013 0.7122 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6653 1.3490 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0998 0.4882 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5377 1.3395 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0198 -1.6621 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9125 -0.5271 -2.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7709 -0.3580 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4790 -1.9813 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4598 -2.7170 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1759 -2.5038 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0020 -1.2172 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5226 -1.9037 2.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0781 0.4818 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3489 0.9472 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3121 0.1162 3.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9706 1.6584 2.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0855 1.1606 0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0231 1.3385 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4091 -1.1824 2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1398 -0.1083 1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8678 -1.2262 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4382 -2.5121 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5596 -1.8059 -0.3618 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 26 27 1 0 25 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 14 12 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 6 26 77 1 0 26 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END