HMDB0112647 RDKit 3D PS(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -1.5866 4.3763 6.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 3.4265 5.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 3.1066 4.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 2.4771 4.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3271 2.1125 3.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 1.5022 4.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 0.2802 4.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1637 -0.6004 3.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6478 -1.7529 4.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -2.9959 3.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8129 -3.5015 2.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -4.3692 3.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 -5.6510 3.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 -6.4108 2.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8134 -5.8004 1.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 -5.8667 0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 -6.5744 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8319 -5.8541 -1.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 -4.8440 -2.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -5.1618 -3.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0781 -6.2111 -2.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -4.2137 -3.7986 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -4.0422 -4.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 -3.4399 -3.3288 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1066 -4.2362 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9266 -3.4992 -1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -4.3262 0.2873 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1248 -5.4106 0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7251 -4.9655 0.2785 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 -3.2630 1.6255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 -3.8638 2.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8204 -3.0318 3.9262 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5017 -1.7637 3.7061 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 -2.8096 4.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 -3.7722 4.8484 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 -1.5233 4.8145 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2756 -3.1551 -3.7888 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -1.7901 -3.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7078 -0.9704 -3.6808 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -1.3971 -4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0802 0.1246 -4.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 0.6198 -2.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0618 2.1272 -2.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 2.6647 -1.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2479 2.5299 -1.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 3.4037 -1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9214 3.2734 -1.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4122 1.8894 -2.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6205 1.5284 -3.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1247 2.2495 -4.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 3.6929 -4.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1122 4.5352 -4.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 4.1297 -4.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3046 4.6752 -3.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 4.2265 -2.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 4.7864 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 4.3900 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5222 5.0187 1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 4.6746 2.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 5.3005 3.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 5.0818 6.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6946 4.9797 5.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3307 3.8324 7.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3526 2.4907 5.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9372 3.8383 4.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3765 2.4014 3.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6779 4.0432 3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1174 1.5262 5.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 3.1727 5.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 1.7060 2.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6933 3.1648 3.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0235 2.1273 5.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 -0.0993 4.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 -0.1007 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -0.8041 2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -1.4469 4.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -3.7255 4.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -3.6494 1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -2.5012 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 -3.9036 3.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 -6.1790 3.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 -7.0560 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -7.2533 2.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -5.2470 2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 -5.2947 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -7.2760 -1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 -7.3593 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -5.4300 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -6.5918 -2.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6789 -4.5620 -3.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9707 -3.8639 -1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 -4.9417 -4.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -3.2729 -5.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5066 -2.4572 -3.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1017 -4.3499 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5945 -5.1874 -2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2736 -4.3336 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 -4.8375 2.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8104 -4.1558 2.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4468 -3.5581 4.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4177 -1.4290 2.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4924 -1.7875 3.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3156 -0.9946 5.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7371 -1.9054 -3.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0832 -1.6866 -5.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2889 0.5808 -4.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0632 0.4440 -4.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8496 0.3473 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 0.1233 -2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 2.5795 -3.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 2.2813 -2.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2691 2.0285 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0131 3.7132 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0891 2.7974 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 1.4947 -1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 4.4618 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 3.3417 -3.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 4.0608 -2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 3.4027 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6522 1.8745 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9046 1.1555 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 1.5089 -3.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3381 0.4405 -3.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 1.9037 -4.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 1.7966 -5.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9156 4.1766 -4.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 5.6312 -4.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 3.0310 -4.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0062 4.4564 -5.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 5.8060 -3.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3979 4.4990 -3.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 4.6700 -1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7615 3.1474 -2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 4.4011 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 5.8867 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 3.2779 0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4665 4.8188 0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 6.1325 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4908 4.6987 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3595 3.5698 2.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 4.9955 2.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1602 4.5421 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 6.1477 2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9776 5.6704 4.4671 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 32100 1 1 33101 1 0 33102 1 0 36103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M END