HMDB0011394 RDKit 3D PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 132131 0 0 0 0 0 0 0 0999 V2000 0.4933 0.4244 1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 1.2731 1.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 2.3753 2.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0982 3.6315 2.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 4.1181 1.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 4.9661 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 4.7865 -0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 3.6959 -1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0029 2.6660 -2.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1912 2.4520 -2.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 3.2168 -2.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 3.8057 -3.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0681 3.6050 -3.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1391 2.8114 -3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 2.0447 -2.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3593 0.7512 -2.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4664 -0.1433 -3.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 -1.1461 -3.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 -2.4400 -3.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8343 -3.0440 -3.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1586 -3.8569 -1.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3038 -5.0143 -1.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6511 -6.1281 -2.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1256 -5.0819 -0.9958 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 -6.2937 -0.8617 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0068 -6.2922 -1.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 -5.4007 -0.7044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1998 -5.4491 -1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 -4.7222 -2.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7227 -3.7883 -2.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 -2.4055 -2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 -2.1578 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0419 -0.8481 -0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4873 -0.7419 -1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3257 -1.8306 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3109 -1.7881 0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8596 -0.4608 1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8438 -0.3811 2.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 0.9205 3.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8143 1.1619 2.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3234 2.4796 3.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5619 3.6639 2.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5565 3.8404 1.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7479 5.0840 1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3307 6.3182 1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -6.6961 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8861 -6.8655 0.9105 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1409 -7.3131 2.5033 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1185 -8.4836 2.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 -7.7439 3.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8641 -6.0298 3.3215 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2569 -4.8130 3.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -3.7442 3.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -2.4303 3.5733 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2004 -0.6434 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 0.8325 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5419 0.4608 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 0.5699 2.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 1.5209 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 2.1005 3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7531 4.3721 2.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8073 3.3830 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 4.8431 2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 5.8498 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3591 5.5559 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1235 3.1516 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 4.2099 -1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 1.9324 -2.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3577 1.5891 -3.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1894 4.0211 -1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1013 2.5578 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 4.4770 -4.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 4.1568 -4.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5564 2.1452 -4.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 3.5673 -3.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2082 2.5598 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 0.2566 -1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3451 0.3052 -4.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5840 -3.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 -0.7412 -3.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5962 -3.0633 -3.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7886 -3.8495 -4.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -2.4256 -3.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2146 -4.2251 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -3.1916 -1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9329 -7.1262 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 -7.3215 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9604 -6.1720 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9257 -6.1080 -0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6544 -4.7563 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 -3.7938 -2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 -4.0646 -3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 -1.6467 -3.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 -2.4901 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -2.1520 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 -2.9967 -0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4372 -0.0248 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0564 -0.7785 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5219 -0.9169 -2.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8882 0.2689 -1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9616 -2.7957 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3632 -1.6741 -1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0289 -2.5726 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3346 -2.0099 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2406 0.3485 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9215 -0.4115 0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 -0.5770 3.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 -1.2372 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 1.7848 3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3195 0.8694 4.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9963 1.0158 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4155 0.3674 3.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2249 2.4448 4.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4065 2.5379 3.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5153 3.6673 3.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0370 4.5682 3.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5938 4.0196 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1322 3.0109 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6799 4.9094 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8208 5.1729 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4085 6.1125 1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7576 6.6578 2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2999 7.1342 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0002 -7.6374 0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 -5.8932 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 -8.7374 3.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 -4.7785 3.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -4.6059 1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -3.7076 3.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -3.9750 4.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5027 -2.3284 3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1179 -1.7068 3.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 28 29 2 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 25 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 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 6 26 87 1 0 26 88 1 0 28 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 50126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 M END