HMDB0260923 RDKit 3D PE(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/16:0) 128127 0 0 0 0 0 0 0 0999 V2000 15.9184 0.0268 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 0.4199 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9262 1.4713 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2709 0.9701 1.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4212 -0.2121 1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2087 -0.3354 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0654 0.5747 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3303 1.9746 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 1.9766 -0.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2295 1.5232 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1274 2.4788 -1.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8149 2.1349 -2.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 3.2091 -1.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5536 3.3167 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 2.0862 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6193 1.8436 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1302 2.6223 -0.9773 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 0.7346 0.2287 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 0.5492 -0.3555 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5048 0.7582 0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 0.6960 0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 -0.2988 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 -1.4622 -0.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 -0.0287 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7867 -1.2776 -0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8802 -2.2107 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6107 -3.4982 0.1948 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5381 -4.2000 1.4433 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0754 -3.3597 -0.0897 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2836 -2.7185 -1.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8027 -2.6291 0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7346 -1.7265 0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3990 -1.0563 1.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3359 -0.1473 1.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9536 0.4766 2.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8843 1.3846 2.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3629 1.8295 1.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3269 2.7701 1.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8559 3.2643 0.2778 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.6914 4.6336 0.1556 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3602 2.9195 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4651 1.4359 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8575 0.9402 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7355 1.2170 -0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0522 2.6299 -0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5493 -0.7235 -1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -1.7972 -0.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 -3.2475 -1.1007 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5215 -3.9436 -1.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3306 -2.9713 -2.7165 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0198 -4.2953 -0.4379 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -5.5867 -0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 -6.5211 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 -7.8689 -0.8431 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5103 -0.7165 1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3041 0.9026 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7554 -0.4371 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3214 0.9052 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2841 -0.4794 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6655 2.2744 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2944 1.9813 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1995 0.6593 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8959 1.8272 2.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2155 -0.5903 2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1153 -1.0847 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4745 -0.3733 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8347 -1.4165 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7369 0.5692 2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1450 0.1487 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4861 2.6658 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2590 2.4255 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6452 3.0456 -1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3600 1.3601 -1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4485 1.6522 -2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0313 0.4737 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4313 3.5057 -1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 2.3449 -0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9578 2.1708 -3.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 1.1377 -1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9202 3.0331 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2618 4.1744 -2.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 3.5641 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8983 4.2166 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5721 1.1801 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9303 2.1759 1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 1.4211 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7097 1.8277 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 0.0776 1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4723 0.5501 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1228 0.6435 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7615 -1.0730 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1922 -1.8078 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4119 -1.7268 1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -2.4987 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -4.1390 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6687 -3.5642 2.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5159 -4.3997 -0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2053 -2.9702 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5622 -2.8420 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9822 -1.5091 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0988 -1.3273 2.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6399 0.1280 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6172 0.1663 3.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3071 1.8123 3.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0407 1.5012 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7219 3.1695 2.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3938 2.7316 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1438 4.9739 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6994 3.2868 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8749 3.4452 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9577 0.9249 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9162 1.1068 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2952 1.3831 1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8408 -0.1655 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3397 0.6739 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7066 0.6542 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1805 2.6943 -1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9266 3.3639 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6189 2.9753 -1.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 -0.6468 -1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 -0.9840 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5422 -3.0519 -3.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 -5.9830 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 -5.5326 -2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 -6.5047 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8677 -6.1839 -0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -8.5439 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6684 -8.1053 -0.8308 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 19 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 19 86 1 6 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 27 95 1 6 28 96 1 0 29 97 1 6 30 98 1 0 31 99 1 0 32100 1 0 33101 1 0 34102 1 0 35103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 6 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 50122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 M END