HMDB0299134 RDKit 3D DG(20:3(5Z,8Z,11Z)-O(14R,15S)/i-16:0/0:0) 113113 0 0 0 0 0 0 0 0999 V2000 15.1055 -2.3411 -1.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5515 -2.8544 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0726 -2.9001 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3079 -1.6472 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4520 -0.7970 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5076 0.4028 -0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4567 1.3518 -1.9622 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3659 0.4801 -1.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0494 1.0699 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2437 2.4413 -0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0412 2.8591 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5978 2.0802 1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3716 2.3059 2.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4173 3.1640 1.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2702 4.1883 0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1293 4.2016 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1449 3.3864 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 2.1771 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 2.2366 1.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 2.4570 0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1029 1.4199 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 1.7691 -1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9726 0.1415 0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 -0.9875 -0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 -0.9700 -0.7499 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3549 0.0044 -1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -0.0256 -2.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 -0.8224 0.4622 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 -1.8320 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 -2.8309 0.1391 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 -1.7284 2.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4554 -2.5630 2.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5995 -2.2823 1.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4302 -2.3661 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7904 -1.9751 -0.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9075 -2.8535 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2090 -2.4054 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4593 -0.9852 -0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7415 -0.4042 -1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9387 -1.1778 -0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2293 -0.6460 -1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5935 0.7404 -0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8064 1.0612 0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1800 2.5551 0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6766 0.8115 1.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3913 -2.3544 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5722 -1.3491 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9473 -3.0318 -1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9427 -2.3046 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9297 -3.8961 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6825 -3.6045 -0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7092 -3.4360 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2129 -1.9331 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4948 -1.0149 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -1.3086 -2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5051 -0.3842 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2831 0.6748 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2715 -0.1798 -2.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3479 1.0420 -2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6277 0.3803 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5894 3.1755 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 3.9241 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4795 2.0456 2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 0.9811 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 1.6150 3.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5598 3.1221 2.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 5.2080 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2147 4.3210 0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1035 5.0755 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 3.6105 -0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 1.6656 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 1.3854 -0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8592 2.9578 2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 1.2407 2.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 3.4744 0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6425 2.5028 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -1.9342 0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 -1.0424 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0843 -2.0069 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4284 -0.3703 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5722 1.0235 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0295 -0.8298 -3.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -2.0776 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4286 -0.6529 2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8695 -2.5391 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1266 -3.6402 2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1193 -1.3190 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3843 -3.0726 1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7507 -1.5796 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1379 -3.3320 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7049 -1.9089 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9638 -0.9527 -0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1083 -2.6989 0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7535 -3.9199 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0324 -3.0455 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0485 -2.5095 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 -0.3078 -1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4796 -0.8233 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7020 -0.4999 -2.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7540 0.6621 -0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8811 -1.3752 0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8222 -2.2039 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2335 -0.7386 -2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0366 -1.3172 -0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5838 0.9467 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9192 1.5087 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6992 0.5153 1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2986 3.1799 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9743 2.7684 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4346 2.8194 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6691 0.9035 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8221 -0.1148 2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7254 1.6374 2.3387 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 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 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 8 6 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 0 24 78 1 0 25 79 1 6 26 80 1 0 26 81 1 0 27 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 M END