HMDB0262443 RDKit 3D PE(20:3(5Z,11Z,14Z)-O(8,9)/20:4(8Z,11Z,14Z,17Z)) 130130 0 0 0 0 0 0 0 0999 V2000 -16.8513 2.2224 2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8272 1.7406 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2868 2.2675 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5703 3.0654 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2202 3.5485 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3133 3.1038 -1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2881 2.3233 -1.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9097 1.7847 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9552 0.2763 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9042 -0.4649 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5493 0.0068 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6319 -0.4620 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9061 0.3394 -1.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8842 1.7854 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6328 2.4894 -0.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4502 2.3696 -1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7284 1.1434 -1.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1367 0.4247 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9746 -0.1229 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0436 -0.8133 1.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4718 -1.2130 2.2984 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.0339 0.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 -1.6947 1.8666 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6114 -0.8924 2.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1356 -0.7760 0.8539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3438 -0.1182 0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 0.4080 1.8203 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1482 0.0088 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 -1.1852 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 -1.4177 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 -2.5967 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1466 -2.5727 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9434 -1.3412 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9080 -1.3731 1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7105 -0.1548 1.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3318 -1.4186 1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -1.4471 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1994 -0.2461 -0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 0.5205 -0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6049 0.3258 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5326 0.1880 -1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5429 0.9813 -1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8685 2.0978 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8155 3.4346 -1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1614 4.5551 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5483 4.3756 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5914 4.3502 -1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4408 -3.0099 1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7737 -2.6391 0.0165 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 -3.9787 -0.8682 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4086 -3.4681 -2.1273 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 -4.8269 -1.3379 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7574 -4.9079 0.0925 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0334 -6.0625 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 -6.9532 1.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0765 -8.1203 1.6662 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.1954 3.2132 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6956 1.4933 2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3664 2.2064 3.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8497 0.6081 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8419 2.0583 1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3077 1.9632 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0359 3.3959 -1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8719 3.3962 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3021 4.6921 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4940 3.4416 -2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6398 2.0262 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6359 2.0578 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9324 2.1692 0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8916 -0.2219 -0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0198 -1.5614 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2975 -0.5194 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5182 1.0564 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5684 -1.5507 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2818 -0.1758 -2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1572 2.1708 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7100 2.2190 -0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 2.5056 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9482 3.6276 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7494 2.8097 -2.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6742 3.1731 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2279 0.3970 -2.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8016 1.4137 -2.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 1.0645 -0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -0.4452 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6688 0.5153 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5816 -0.9863 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3988 -1.9300 2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -1.3755 2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8275 0.1427 2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 0.0404 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 0.9384 -0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6137 -1.0240 -1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -2.0802 -0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -1.6635 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4974 -0.4851 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3014 -3.5750 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 -3.5146 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4946 -1.2915 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3881 -0.4015 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4377 -1.5202 2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8561 -1.7002 2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -2.3317 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2883 -1.6869 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2448 0.0375 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0854 1.4012 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8392 1.1849 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6850 -0.5973 0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3496 -0.6246 -2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2173 0.8252 -2.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9985 1.9911 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4410 2.1402 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8146 3.6150 -1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5854 3.4269 -2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1831 5.4955 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4059 4.6068 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7452 5.2729 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6294 3.5028 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0626 3.3257 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1968 4.6578 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4440 5.0335 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 -3.5838 1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -3.5404 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 -5.2828 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -6.6534 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -5.7811 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8093 -7.2299 0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1819 -6.3988 2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8483 -7.7660 2.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 -8.6396 0.7858 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 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 23 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 36 34 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 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 1 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 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 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 52124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 M END