HMDB0298650 RDKit 3D DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-13:0/0:0) 102101 0 0 0 0 0 0 0 0999 V2000 -15.0989 0.6347 -1.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4839 1.6180 -0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4270 1.0449 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3117 0.8758 1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9872 1.2267 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2011 -0.0186 0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7008 -0.5540 -0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8809 0.0473 -1.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7877 0.5072 -2.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5252 0.5147 -2.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9248 0.0264 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0272 -1.1096 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7807 -1.0634 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1612 0.0519 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8769 -0.0151 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 1.1425 0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 2.2984 0.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 0.7718 1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -0.3929 2.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4595 -0.7860 2.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -1.1420 1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 -2.2938 0.9963 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 -0.2261 0.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8471 -0.2284 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 -0.9565 -0.1599 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9967 -2.4004 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2966 -3.0196 0.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -0.3505 0.8881 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1287 0.2821 0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4988 0.2798 -0.5654 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8601 0.8883 1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6501 0.0367 2.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7925 -0.7480 2.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 -1.8082 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9058 -2.5240 0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 -1.6074 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4988 -0.9347 -1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5637 -0.0139 -1.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9357 1.0850 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0095 1.9272 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 2.4895 -2.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1972 1.0224 -1.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2072 0.6582 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8022 0.9385 -2.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8125 -0.4062 -1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6114 2.1283 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2807 2.4365 -0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4045 0.7537 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3055 0.4461 2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9659 1.8500 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4931 1.8677 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0346 -0.5183 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1338 -1.5376 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7147 0.8096 -1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4106 -0.7594 -2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0952 0.9168 -3.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8541 0.9184 -3.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5269 0.0406 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1869 0.9155 -0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3933 -2.0287 -1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1646 -1.9560 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6675 0.9490 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2671 -0.8787 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8138 1.3584 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 2.1346 -0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2719 0.4351 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3041 1.6462 1.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3001 -1.2766 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4109 -0.1075 3.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 0.0280 3.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6097 -1.6786 3.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 -0.6757 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 0.8577 -0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 -0.8137 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 -2.9373 -0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7104 -2.5980 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8842 -2.2939 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 1.3649 2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 1.8102 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 -0.5960 3.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 0.7218 3.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6421 -0.0484 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2274 -1.2695 3.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 -1.5533 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9497 -2.6198 1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6571 -3.2583 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2915 -3.0727 1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3381 -0.8910 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8216 -2.2463 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5379 -0.4280 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3791 -1.7513 -1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4979 -0.5940 -1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1635 0.4754 -2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3871 0.7215 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0876 1.7589 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3381 2.7539 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7568 1.9066 -3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9025 3.5124 -2.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3513 2.6185 -2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2136 0.1219 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1426 1.5727 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2027 0.7888 -2.6547 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 2 0 15 16 1 0 16 17 1 0 16 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 40 42 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 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 15 63 1 0 16 64 1 0 17 65 1 0 18 66 1 0 18 67 1 0 19 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 24 72 1 0 24 73 1 0 25 74 1 6 26 75 1 0 26 76 1 0 27 77 1 0 31 78 1 0 31 79 1 0 32 80 1 0 32 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 42102 1 0 M END