HMDB0284464 RDKit 3D PE(24:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 150149 0 0 0 0 0 0 0 0999 V2000 -6.0816 -6.2914 1.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0802 -6.7130 0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 -5.9723 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8407 -6.4627 -0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -5.7891 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5558 -4.3318 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9633 -3.6730 -1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 -4.2977 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2195 -3.7450 -2.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8486 -3.0912 -3.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -2.7688 -4.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2922 -1.2427 -4.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 -0.8532 -4.5144 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 -0.9353 -6.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 0.2932 -6.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 1.4022 -5.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 2.6034 -6.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 3.7812 -5.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1715 4.4395 -5.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3624 3.6097 -5.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 3.1297 -3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 3.6862 -2.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6363 2.0860 -3.2658 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 1.5604 -1.9626 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3444 1.7728 -1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1628 3.1566 -1.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 3.8079 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8538 3.1454 -0.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 5.3026 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 5.8120 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 5.2452 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 5.7237 1.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6504 4.9331 3.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1918 3.4803 2.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 3.4017 3.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 3.7733 4.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 2.7154 5.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 1.3881 5.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9676 1.4678 6.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7223 0.2117 5.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0984 0.2018 6.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0382 -0.8458 5.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5276 -0.7817 4.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 -0.8335 3.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8052 -2.0415 2.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7992 -2.0017 1.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 -1.7881 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2946 -0.5913 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 0.0164 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7558 -0.7130 -0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 -2.0065 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0731 0.1275 -2.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3545 0.0287 -2.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8585 -1.5603 -2.7041 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9325 -2.4228 -3.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4199 -1.5344 -3.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -2.1788 -1.1081 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9532 -1.4079 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1323 -1.8582 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1433 -1.0191 1.6036 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6815 -5.5002 2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5281 -7.1511 2.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9439 -5.8119 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9302 -7.8112 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4478 -6.5285 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 -4.8820 0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 -6.2326 1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6871 -7.5593 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -6.3302 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 -6.3076 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -5.9837 0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 -3.8110 0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -2.5714 -1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -5.3775 -2.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 -4.0448 -3.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 -3.9495 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8709 -2.7451 -2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 -3.1024 -4.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 -3.1238 -5.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6736 -0.7156 -4.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 -1.4930 -5.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1423 -1.7404 -6.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 0.4638 -7.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 1.2450 -4.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2032 2.7443 -7.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 3.4133 -4.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 4.5092 -5.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 5.4088 -4.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 4.7753 -6.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2872 2.6938 -5.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3118 4.1494 -5.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4519 2.0910 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4515 1.2925 -1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 1.2636 -0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 5.6025 0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 5.7511 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 5.4375 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4644 6.8996 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3564 5.6714 0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 4.1774 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 5.8181 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 6.7808 2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 5.3875 3.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 4.9318 2.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8489 2.9395 3.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3114 3.0523 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 4.0848 2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6481 2.3938 3.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 4.7156 5.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5204 3.9360 5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 3.0254 6.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2065 2.5749 5.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 1.0028 4.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.6682 6.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 2.3773 5.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 1.3920 7.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -0.6317 6.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6832 0.0513 4.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0316 0.2345 7.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 1.2003 5.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -0.7804 6.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6053 -1.8406 5.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3858 -1.5173 4.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0861 0.2133 4.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 0.0746 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4075 -0.9153 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2159 -2.1961 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 -2.9819 2.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8994 -1.3033 2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1452 -3.0039 1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 -1.9318 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 -2.7451 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5635 0.2826 0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9714 -0.6570 -1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9284 0.5700 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 0.9574 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6675 -0.0341 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6006 -0.7862 -1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4402 -2.4126 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1152 -1.9210 0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.7686 -1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 -0.4035 -2.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 -0.3775 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 -0.7425 -3.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -1.5029 -1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5778 -0.3574 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1862 -1.6567 1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3931 -2.9235 0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7277 -1.5456 2.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7836 -0.5933 0.8744 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 1 0 12 14 1 0 14 15 2 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 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 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 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 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 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 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 1 25 93 1 0 25 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 56144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 M END