HMDB0297244 RDKit 3D DG(18:3(9,11,15)-OH(13)/8:0/0:0) 85 84 0 0 0 0 0 0 0 0999 V2000 12.3322 -0.3132 1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2239 -0.5825 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5703 0.7262 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5013 1.3216 -0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8395 2.6360 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7263 2.4092 -2.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2259 1.9213 -3.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7112 1.4793 -1.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4120 1.3184 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3844 0.3642 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0411 0.1583 1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0531 -0.7334 1.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 -1.5342 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2234 -0.8014 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -1.8357 -0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 -1.1681 -1.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4366 -0.3904 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 -1.2582 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 -0.4685 0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 0.2302 1.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7077 -0.4329 0.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6869 0.3165 1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0091 0.0727 0.4809 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9098 0.5919 -0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 -0.0097 -1.6486 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0812 0.7577 1.0649 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2488 0.0877 1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2251 -1.1487 1.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3555 0.8544 2.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4877 -0.0493 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1142 -0.8452 1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7662 -0.2502 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9770 0.5535 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8885 1.0118 -1.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4611 -0.1860 -2.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9439 -1.2117 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8017 -0.0320 2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9026 0.5535 1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7059 -1.0018 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5099 -1.3232 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1137 1.2231 1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9523 0.8355 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5701 3.3808 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4599 3.0702 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2525 3.3939 -2.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3756 0.9300 -3.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1582 0.8717 -2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9131 1.8803 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 -0.2215 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6180 0.7848 2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3531 -0.1358 2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5299 -1.4418 2.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8884 -2.0769 0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7242 -2.3727 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 -0.0475 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 -0.2273 0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -2.3395 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0359 -2.6131 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0538 -1.9271 -2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0322 -0.4500 -2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8828 0.4661 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 0.0230 -1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7731 -2.1463 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3755 -1.6227 0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7505 0.0475 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4909 1.4057 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1442 -1.0092 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 1.6787 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8751 0.5692 -1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0212 -0.9654 -1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9604 1.2798 3.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6828 1.7398 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0626 -0.7618 3.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2503 0.5625 3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9379 -1.4903 1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4111 -1.6990 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2563 -1.0764 -0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6683 0.3326 0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5886 1.4915 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1444 0.0005 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7037 1.5859 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3193 1.6084 -2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3748 -0.5094 -2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6449 0.0401 -3.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7132 -1.0251 -2.5619 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 22 65 1 0 22 66 1 0 23 67 1 6 24 68 1 0 24 69 1 0 25 70 1 0 29 71 1 0 29 72 1 0 30 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 35 83 1 0 35 84 1 0 35 85 1 0 M END