HMDB0296898 RDKit 3D DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0/2:0) 71 70 0 0 0 0 0 0 0 0999 V2000 -8.2113 1.9641 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4071 2.0709 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5434 1.2617 -1.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6773 -0.1702 -1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6736 -1.1000 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1803 -1.1540 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8936 -1.0372 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8198 -0.8398 -0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5806 -0.7398 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3495 -0.8353 1.5686 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6104 -2.1481 1.9582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -0.5681 1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0994 -1.5830 1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1876 -1.3479 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 0.0206 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 0.2765 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3473 -0.6687 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7926 -0.4190 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 -1.4501 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0248 -1.3204 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6305 -0.0598 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 0.8352 -0.5267 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9802 0.2358 0.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5303 1.4714 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0281 1.3919 0.0626 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1872 1.2030 1.4203 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5713 0.2701 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 0.0243 -0.6269 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9509 0.9069 -0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3915 0.5877 -0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6518 2.0605 -1.2768 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3552 1.5869 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3254 1.3513 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8744 3.0147 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5272 3.1873 -0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3143 1.9270 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3874 1.7145 -2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6426 1.5447 -2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0379 -0.5369 -2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6648 -0.4672 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8206 -1.2039 -1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1599 -2.1637 -1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9200 -1.3026 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6714 -1.0984 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -0.7720 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -0.5890 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 -0.0845 2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4099 -2.2369 2.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 0.4687 1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8209 -0.8445 3.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 -2.6395 1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 -2.2184 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 0.0348 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4853 0.7640 0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 1.2300 -0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 -1.6074 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 0.6183 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0141 -0.5820 2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -2.4644 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3505 -1.3781 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2337 -1.5409 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 -2.2103 -0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3777 1.6462 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1383 2.2929 0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4582 2.3577 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6610 2.0027 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2617 0.4623 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0274 -0.6667 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7062 0.6923 0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0458 1.0879 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4809 -0.5162 -0.9194 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 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 1 0 29 31 2 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 10 47 1 1 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 24 63 1 0 24 64 1 0 25 65 1 6 26 66 1 0 27 67 1 0 27 68 1 0 30 69 1 0 30 70 1 0 30 71 1 0 M END