HMDB0009206 RDKit 3D PE(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) 133132 0 0 0 0 0 0 0 0999 V2000 16.1113 -2.7415 0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2556 -1.6333 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5965 -0.8627 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3296 -0.7417 1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2096 -1.3048 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4019 -2.2209 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0439 -2.0229 -1.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -0.7963 -2.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0593 -1.0973 -2.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9470 -0.5849 -2.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7921 0.3472 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2316 1.6518 -1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1126 2.1283 -1.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 1.4187 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0067 2.2381 0.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 1.7502 1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7915 1.3760 1.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 0.2020 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 -0.9238 1.5987 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2672 0.1803 -0.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8992 -0.8245 -1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 -1.2253 -1.0839 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5554 -0.0552 -1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 1.0109 -0.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 2.3522 -0.9913 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6380 2.2387 -0.6077 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 2.5356 -2.6944 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 3.7174 -0.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 4.1274 0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 5.3408 1.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 5.0963 1.6566 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1481 -1.6249 0.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 -2.8468 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 -3.7162 -0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 -3.1209 2.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 -2.0933 2.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8411 -1.8849 2.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 -1.4188 0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3891 -1.1924 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 -2.4679 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5738 -2.4088 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8918 -1.9263 -1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 -0.5022 -1.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9614 0.3800 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6073 0.5072 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5044 -0.6063 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7994 -0.3625 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4350 0.9526 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0466 1.3177 1.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3245 1.5763 1.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3299 1.5618 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4195 0.5278 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4503 0.5254 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9290 0.2288 -1.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2612 -1.1079 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0742 -2.3398 1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5348 -3.2348 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3081 -3.4707 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0895 -0.9533 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7046 -2.0314 -0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3087 -0.3189 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0568 -0.0809 2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4873 -0.4555 0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5184 -1.8804 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8629 -3.2300 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2322 -2.7872 -2.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0341 -0.4760 -3.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3871 0.0559 -1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0389 -1.8099 -3.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 -0.8611 -2.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2218 -0.1510 -0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7760 0.6427 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8777 2.1854 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7692 3.1166 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 0.4054 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2201 1.4723 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5348 3.2496 0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9964 2.6065 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2265 2.5450 2.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 0.8413 2.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2086 2.2852 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 1.2801 2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5299 -1.7314 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 -0.4893 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2502 -2.0274 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 -0.4206 -1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 0.2708 -2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 2.9684 -3.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0349 3.3674 1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 4.4685 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 6.2063 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 5.5727 2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6432 4.9455 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 4.3736 2.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 -3.0359 2.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -4.1639 2.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 -2.3462 3.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 -1.1008 2.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4348 -2.8197 2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -1.1272 2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -2.1485 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4064 -0.4217 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 -0.3305 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2515 -0.9505 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1294 -2.8450 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6026 -3.2980 -0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9776 -1.6960 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9987 -3.4303 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2386 -2.4753 -2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9141 -2.3692 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8913 0.0286 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7456 -0.3816 -2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7820 0.1585 -2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6523 1.4457 -1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8355 0.5136 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0475 1.5151 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1544 -1.6317 0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4167 -1.2309 0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8204 1.7635 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2514 0.8364 -0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4000 1.3593 2.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7207 1.8416 2.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8898 2.5602 0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9588 1.5627 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9116 0.7459 1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9385 -0.4666 1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3374 -0.1067 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8722 1.5696 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7524 0.3142 -2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2075 1.0239 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9941 -1.8934 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6929 -1.3590 -0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5238 -1.0094 -2.3974 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 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 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 6 23 86 1 0 23 87 1 0 27 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M END