HMDB0298522 RDKit 3D DG(20:3(8Z,11Z,14Z)-O(5,6)/i-13:0/0:0) 104104 0 0 0 0 0 0 0 0999 V2000 14.5125 0.5472 -0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1487 0.3293 0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5697 -1.0390 1.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3347 -1.2569 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2904 -0.2322 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0409 -0.3955 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9060 -0.6611 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7307 -0.8299 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2004 -2.2171 2.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0561 -2.4648 2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1383 -1.4385 3.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8546 -1.5689 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3329 -0.6100 1.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 0.7208 1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1877 1.0148 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8118 2.3913 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6136 2.0967 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 2.7949 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 1.8966 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 1.2489 -1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 0.3718 -1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7673 -0.8045 -0.7666 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5892 0.8700 -1.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 0.1665 -1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9133 1.0798 -1.7712 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8509 2.3446 -0.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 2.8547 -1.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1899 0.4700 -1.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0174 0.3216 -2.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6143 0.7473 -3.8899 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3967 -0.3495 -2.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0047 -0.2959 -3.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2707 -0.9081 -4.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4828 -0.5005 -3.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5944 -0.8644 -2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9477 -0.3259 -1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1916 -0.6396 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1802 -0.0676 0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4464 -0.4199 2.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7832 0.1090 2.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9664 -0.2866 3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7797 1.6049 2.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3850 1.2085 -0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6717 1.0292 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7444 -0.4684 -0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4371 1.0769 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0817 0.3777 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3194 -1.8483 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2433 -1.0845 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6213 -1.0883 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9670 -2.2819 0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7224 0.7728 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2194 -0.1079 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1102 -0.2780 -1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0015 -0.7739 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6439 -0.6860 2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0069 -0.0462 2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7742 -3.0839 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7161 -3.5165 2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9357 -1.8155 4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5286 -0.4474 3.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 -2.5262 2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3629 -0.8012 1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 0.9317 2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 1.4559 2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9126 0.3414 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7977 2.0902 -1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5709 3.2244 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 3.7082 -0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 1.1753 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 2.5664 0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6772 0.5513 -1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6285 1.9518 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9463 -0.2628 -0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8479 -0.7216 -2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 1.3622 -2.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5586 3.1132 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9414 2.0687 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 2.9457 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1917 -1.3527 -2.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9271 0.3286 -1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0112 0.8188 -4.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1765 -0.6717 -4.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4552 -0.7167 -5.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1637 -2.0461 -4.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4025 -0.8335 -4.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5424 0.6430 -3.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7301 -1.9858 -2.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7899 -0.5090 -1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7142 -0.8560 -2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0172 0.7493 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1890 -0.1622 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3297 -1.7217 -0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1387 -0.3732 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1529 1.0594 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6850 0.0089 2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3634 -1.5221 2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5734 -0.3729 1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7441 0.3498 4.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9665 -0.1314 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2070 -1.3621 4.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8253 2.0319 2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9864 1.9561 1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6112 1.9898 3.0413 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 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 40 42 1 0 17 15 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 13 63 1 0 14 64 1 0 14 65 1 0 15 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 41 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END