HMDB0262152 RDKit 3D PE(20:3(5Z,8Z,11Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 132131 0 0 0 0 0 0 0 0999 V2000 14.4429 3.0381 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2197 2.1354 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 2.9175 1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6661 4.1082 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0356 3.7709 -1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8475 2.9267 -0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6765 1.7340 -1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6228 1.0448 -2.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2358 -0.2126 -1.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0929 -0.8462 -0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3090 -0.5341 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3261 -1.6592 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5922 -1.3584 1.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5274 -1.9941 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3986 -1.4359 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7643 -0.3852 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6263 0.1146 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9857 1.2099 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 2.4373 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0005 2.0908 -1.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6403 1.7065 -1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 2.5119 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3609 0.4256 -0.8695 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 0.0836 -0.5088 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9518 -0.1851 1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -0.4860 1.2868 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8379 -0.7350 2.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 -0.6882 3.4969 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2737 -1.0360 2.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8357 -1.5279 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 -1.8210 1.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8941 -2.3288 0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8033 -1.8230 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5134 -0.5745 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 0.3174 0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9963 0.7029 1.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3742 0.3291 2.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0641 -0.6322 1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1459 -0.4054 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8281 0.8908 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2709 0.7772 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0350 -0.2092 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1161 0.1179 -1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7836 1.4313 -1.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2028 1.4413 -0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8116 2.7931 -1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9983 3.8596 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 -1.1378 -1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4819 -2.2139 -0.9632 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 -3.5897 -1.8397 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3438 -3.1372 -3.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 -4.5015 -2.2463 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -4.4678 -0.8714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -5.6312 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -6.4129 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 -5.5894 1.6074 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2476 3.7310 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6079 3.6328 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3410 2.4512 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5649 1.2780 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9330 1.7656 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2798 2.2215 1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5445 3.2630 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4909 4.8065 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8529 4.5857 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7744 3.4399 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6769 4.7747 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9957 3.3000 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6904 1.2464 -1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0845 0.9014 -3.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4730 1.7294 -2.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9299 -0.7024 -2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6794 -1.8232 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 -0.5319 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8048 0.4045 0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9847 -2.5554 1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4721 -2.1795 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9263 -2.7968 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9153 -1.8080 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1973 0.0118 0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1286 -0.2221 -1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6301 1.4558 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9646 0.9573 0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8398 2.7727 -0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3549 3.2290 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9048 3.0587 -2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4838 1.3770 -2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 0.9421 -0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 -1.0412 1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 0.7215 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3975 -1.8197 3.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 -0.0948 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6351 -0.7856 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2775 -2.4413 1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8646 -1.1160 2.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2971 -2.7561 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4813 -3.3139 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1296 -2.3799 -1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 0.0525 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5846 -0.6912 -0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1976 0.7618 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5171 1.4342 2.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3619 -0.1071 3.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9323 1.2909 2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6900 -1.6855 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6046 -1.2375 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3845 1.7133 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8728 1.1608 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7713 1.7679 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2823 0.4462 2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0692 -0.2584 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5777 -1.2179 0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1252 0.0484 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7191 -0.7002 -1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7472 1.6398 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2657 2.2689 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2475 1.2993 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8286 0.6339 -1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6937 2.9265 -2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8632 2.7962 -0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1243 4.0854 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6280 3.5479 0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5693 4.8227 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -0.9585 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -1.4585 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 -4.2709 -1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 -5.3301 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8839 -6.2833 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -6.6502 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0602 -7.3162 0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 -5.7079 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3103 -5.8703 2.4789 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 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 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 1 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 39106 1 0 40107 1 0 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 46119 1 0 46120 1 0 47121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 52126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 M END