HMDB0009413 RDKit 3D PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) 128127 0 0 0 0 0 0 0 0999 V2000 2.6525 -6.5690 -2.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 -6.8750 -1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9412 -5.8241 -0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2086 -5.3125 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0976 -4.6311 -2.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 -4.1542 -2.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7223 -2.9462 -3.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9485 -1.7244 -3.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 -1.6733 -2.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 -1.0816 -1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 -0.3499 -0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6225 -0.9436 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1357 -0.2915 1.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7275 1.0786 1.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 1.4718 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3126 0.7358 2.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 -0.7172 2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8594 -1.1942 3.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -0.7230 4.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 -1.1953 3.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0781 -2.3526 3.4964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -0.4971 2.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2028 -1.0101 1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4405 -1.1883 2.2363 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5290 -1.9153 1.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0165 -1.2313 0.3906 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2319 -2.1583 -0.3192 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.0628 -2.3108 -1.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7014 -1.3438 0.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3193 -3.6401 0.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 -4.3714 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5019 -5.7259 0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2779 -6.4423 0.3935 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9058 0.0807 2.7358 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3048 1.0862 1.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7631 2.2744 1.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 2.6590 2.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 3.0981 2.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3329 3.5413 3.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6563 4.7332 3.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4357 5.1362 4.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 5.4774 3.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3895 6.6121 2.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 6.8898 1.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 7.9691 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 7.8241 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 6.5553 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 6.1901 -1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3081 4.9146 -2.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5547 3.7363 -1.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 2.4481 -2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 1.2632 -1.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1879 -7.0568 -3.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5998 -7.0190 -2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 -5.5022 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3143 -7.2248 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 -7.8252 -1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 -4.9667 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2032 -6.2415 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 -4.6655 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 -6.2009 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2391 -3.9924 -2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8468 -5.5032 -3.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1996 -4.9525 -2.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8198 -2.8385 -3.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5963 -0.9286 -2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9759 -1.3261 -4.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -2.1465 -3.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9518 -1.1222 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9482 -0.5262 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7426 0.7307 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 -2.0026 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0599 -0.8432 2.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 1.5768 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 1.6811 2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 2.5759 1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3636 1.3158 2.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -0.9947 1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9989 -1.3272 1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 -0.8905 4.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8516 -2.3041 3.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 0.3870 4.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6716 -1.1380 5.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 -2.0079 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3978 -0.2634 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2347 -1.7733 3.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1951 -2.9402 1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3907 -2.0569 2.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2217 -1.7901 0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3314 -4.4561 -1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3198 -3.7986 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8013 -5.6476 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3180 -6.2920 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3810 -7.4741 0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7760 -6.1012 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0777 0.9549 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 3.0574 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 3.5425 3.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4723 1.8450 3.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 2.1894 1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7239 3.8294 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 3.8759 2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0262 2.7321 3.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0824 5.5591 3.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 4.3844 4.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 5.9887 5.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1396 4.2950 5.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 4.5963 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5345 5.8518 4.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1337 7.5070 3.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 6.3316 2.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0238 5.9924 1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 7.3259 2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 8.9466 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 8.7061 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 6.6829 -1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 5.6988 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 7.0066 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 6.1912 -1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 4.7842 -3.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 5.0108 -3.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 3.8632 -1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2955 3.6692 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 2.5102 -3.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3453 2.2537 -2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9444 1.2376 -1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 0.3437 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 1.3879 -0.5622 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 24 34 1 0 34 35 1 0 35 36 2 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 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 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 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 1 25 87 1 0 25 88 1 0 29 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 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 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END