HMDB0294564 RDKit 3D DG(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0/10:0) 97 96 0 0 0 0 0 0 0 0999 V2000 -11.8458 -3.1481 2.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7107 -2.1117 1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8730 -0.8985 2.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4967 0.2826 2.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8506 0.5881 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5209 1.1667 0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4094 0.6423 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3600 -0.6171 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7395 -0.2874 -1.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6288 -0.8600 -1.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8382 -1.8605 -1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 -1.5740 -0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8056 -0.4963 -0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2082 0.7702 -1.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 1.7888 -1.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9734 1.8349 -0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 1.2144 0.3131 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0488 1.1756 -1.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 1.0852 -1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 1.5768 -0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 2.4338 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6426 3.7687 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 3.5755 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 3.5460 0.9585 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6512 3.4362 -1.3438 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 3.2353 -1.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5346 1.8853 -1.4980 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8863 1.9307 -1.9928 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 1.4769 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 0.2147 0.0346 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5565 -0.3162 1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0759 0.3492 2.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -1.5610 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8914 -2.0981 0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9004 -1.2137 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0798 -0.8565 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8991 -2.0170 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0734 -1.5564 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0049 -0.6412 1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6315 -1.2485 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4555 -2.4660 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2159 -3.6639 1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4479 -3.9241 2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1338 -2.6402 2.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4359 -1.9771 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7387 -2.6021 1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3627 -1.0483 3.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6606 1.1337 2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8798 -0.2225 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5273 1.4108 0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4353 2.1040 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4414 1.1273 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3153 -1.1011 -0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7603 -1.3442 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2089 0.4538 -2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3225 -0.5357 -2.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7957 -2.7590 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 -2.3466 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9601 -2.4491 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7734 -0.5901 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 0.9460 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 2.7095 -1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7492 2.9192 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2995 1.8132 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 1.7435 -2.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5097 0.1752 -2.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 0.4340 -2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3277 1.3335 -1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 2.5740 0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5021 2.0031 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2901 4.2364 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 4.4671 0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0791 3.5141 -2.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5779 4.0130 -1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0532 1.0997 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7644 2.0478 -2.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 2.1963 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 1.2151 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.3752 2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6023 -2.3273 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0425 -2.2233 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -3.1508 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4263 -0.2636 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3003 -1.7629 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 -0.2108 -0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7802 -0.1809 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2638 -2.5569 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3023 -2.7233 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6247 -0.9533 2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 -2.4126 2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8234 -0.3668 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4550 0.2772 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2941 -0.4842 -0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8249 -1.4679 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2513 -3.2752 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2794 -2.8952 1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5543 -2.2633 0.1030 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 11 58 1 0 12 59 1 0 13 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 20 68 1 0 21 69 1 0 21 70 1 0 22 71 1 0 22 72 1 0 26 73 1 0 26 74 1 0 27 75 1 6 28 76 1 0 29 77 1 0 29 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 36 85 1 0 36 86 1 0 37 87 1 0 37 88 1 0 38 89 1 0 38 90 1 0 39 91 1 0 39 92 1 0 40 93 1 0 40 94 1 0 41 95 1 0 41 96 1 0 41 97 1 0 M END