HMDB0295028 RDKit 3D DG(20:3(5Z,8Z,14Z)-O(11S,12R)/0:0/14:0) 107107 0 0 0 0 0 0 0 0999 V2000 -10.7884 -1.8792 3.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9680 -1.1138 2.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4852 -1.8177 1.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4209 -1.9156 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8966 -0.5557 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0288 0.1866 -0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0856 0.6149 -1.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0195 0.3979 -2.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4857 1.7343 -3.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4531 1.7136 -4.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2142 2.2892 -2.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0966 1.5464 -2.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9727 2.4610 -1.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4751 2.7827 -0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9799 2.2722 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1324 1.4314 1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9514 0.9956 0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0802 1.1559 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -0.1651 -0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0451 -1.1712 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 -0.7466 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 0.3620 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 -1.6217 1.1822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 -1.4692 1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 -1.2974 0.6934 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1866 -0.1720 -0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -1.3027 1.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 -1.2562 0.5406 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 -0.2207 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 0.8418 -0.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3589 -0.2150 -1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5381 0.3378 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7501 0.4127 -1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2327 -0.8678 -1.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6050 -1.9406 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6268 -1.7675 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0280 -1.4432 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2232 -0.1172 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7181 0.1441 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5269 0.0925 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0745 1.1191 1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9192 1.0305 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7873 -0.3497 2.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5564 -1.4696 4.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9989 -2.9610 3.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9171 -1.7015 2.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6665 -0.0771 2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7668 -1.0742 3.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4163 -1.3347 1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7546 -2.8797 1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5696 -2.5073 0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8307 -2.4142 -0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0138 -0.6681 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5185 -0.0305 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8697 0.3791 0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9837 1.1619 -2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5148 -0.0466 -3.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2337 -0.3020 -2.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2998 2.4253 -3.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1102 3.4010 -2.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6883 0.7030 -2.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4835 1.0248 -1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5424 2.8879 -2.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6313 3.5444 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 3.1833 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0377 1.8581 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5772 1.1242 2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 0.3496 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 1.5740 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 1.8187 -1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6743 -0.6228 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1373 0.0859 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 -1.5915 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8382 -2.0998 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 -2.3403 2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2859 -0.5705 2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2576 -2.1833 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -0.3813 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 -2.2636 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 -0.4414 2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5524 -1.2753 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 0.3421 -2.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2726 1.3967 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 -0.2750 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4744 1.0721 -2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5428 0.9881 -0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2855 -1.2811 -2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8859 -0.6729 -2.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9438 -2.8212 -1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6451 -2.3535 -0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3107 -0.9656 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6483 -2.7546 0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4464 -2.2664 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6144 -1.5270 0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7551 -0.0659 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8673 0.7296 -0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0085 -0.5983 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7584 1.1450 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5593 -0.9112 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5747 0.3691 -0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0026 0.9764 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1913 2.1384 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9769 1.2028 2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5425 1.7643 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0694 -0.3269 4.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7258 -0.7005 2.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4754 -1.0645 2.4682 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 1 0 10 11 1 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 25 27 1 0 27 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 11 9 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 0 24 76 1 0 25 77 1 6 26 78 1 0 27 79 1 0 27 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 M END