HMDB0297192 RDKit 3D DG(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/8:0/0:0) 87 86 0 0 0 0 0 0 0 0999 V2000 -9.2809 1.8984 2.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3258 1.5571 1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9726 0.2853 1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9712 -0.7745 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2659 -0.8724 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3056 -1.9720 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0288 -1.9554 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0712 -0.9412 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4094 0.4290 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2384 0.4881 -2.5567 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1922 1.2200 -1.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9759 0.7137 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8552 1.5259 -2.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 1.1027 -2.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0485 -0.1761 -2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 -1.3270 -1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6921 -1.9221 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 -1.5297 0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 -2.6373 1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0759 -2.2270 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8711 -1.0360 1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4659 0.1396 1.8757 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 -1.1982 1.3467 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 -0.0894 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3192 -0.6309 0.5717 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9361 -1.2797 1.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0901 -0.2868 2.7763 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2548 0.3568 0.1836 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9552 0.2939 -1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 -0.7248 -1.7387 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9358 1.2708 -1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3635 0.8529 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3664 1.8421 -1.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7486 1.3764 -1.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8778 1.2508 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3062 0.7797 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4341 0.6555 2.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5801 1.0450 2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7342 2.2043 3.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6946 2.7615 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1523 2.3483 1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8715 1.6742 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5295 0.2666 2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5252 -1.6539 1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9233 0.1097 -0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1032 -1.2063 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7884 -2.9701 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5829 -3.0184 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 -0.9370 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 -1.3931 -1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8151 1.0378 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6613 1.4008 -2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3565 2.2247 -2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8391 -0.2814 -1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0249 2.5833 -2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8854 1.8786 -2.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 -0.4200 -2.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1762 -0.0112 -1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -1.7927 -2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3255 -2.8116 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 -0.5956 0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4053 -1.3862 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 -3.5573 1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2327 -2.9405 0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7735 -3.0339 2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 -2.0336 3.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 0.3776 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 0.6202 1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1895 -1.4373 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9505 -1.5991 1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3507 -2.1432 2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 -0.0906 2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 1.4871 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7545 2.2354 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 0.7421 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5029 -0.1638 -1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 2.7983 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2833 1.9715 -2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8344 0.3234 -1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 2.0056 -1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6455 2.1655 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2312 0.4405 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0285 1.5372 0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4653 -0.2102 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4953 0.6789 2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8852 1.5213 2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9829 -0.2641 2.4859 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 1 0 9 11 1 0 11 12 2 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 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 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 10 52 1 0 11 53 1 0 12 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 24 67 1 0 24 68 1 0 25 69 1 6 26 70 1 0 26 71 1 0 27 72 1 0 31 73 1 0 31 74 1 0 32 75 1 0 32 76 1 0 33 77 1 0 33 78 1 0 34 79 1 0 34 80 1 0 35 81 1 0 35 82 1 0 36 83 1 0 36 84 1 0 37 85 1 0 37 86 1 0 37 87 1 0 M END