HMDB0009702 RDKit 3D PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -11.8640 1.4251 -2.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0587 2.5069 -1.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4128 1.8541 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8407 1.8466 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6339 2.5193 1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9128 3.3929 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7064 3.2230 -0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8626 2.0360 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6127 1.3258 -1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9837 0.1182 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7331 -0.7200 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0086 -2.0020 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5285 -2.4975 0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5530 -1.9322 2.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1475 -1.9344 2.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4693 -0.9217 3.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 0.4462 3.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2522 1.4924 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2964 1.4233 1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5944 0.2505 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 0.2424 1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5341 -1.0025 0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -1.7990 0.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 -1.3005 0.9169 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -2.4781 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0339 -2.3354 -1.2106 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5484 -3.5870 -1.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 -3.5507 -3.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 -5.0170 -3.8163 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5206 -5.2639 -5.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8472 -4.9188 -3.9177 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 -6.2224 -2.7351 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 -6.8280 -3.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -7.9305 -2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 -8.9398 -2.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 -1.2508 -1.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 -0.0254 -2.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7847 0.2532 -1.9597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4343 1.0114 -2.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0469 2.3527 -2.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 2.7133 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 2.9371 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4028 1.8179 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 0.5768 0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 -0.1068 1.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 0.2598 2.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8296 -0.8231 2.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9642 -0.8641 1.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7425 0.1246 0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2309 1.4508 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6814 2.6028 1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8702 2.7088 1.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8856 3.5416 1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1133 3.2047 0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6512 1.8815 1.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0787 1.0544 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1955 1.4059 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1608 2.6983 -1.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3469 2.8516 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9808 0.8107 -2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7584 0.7779 -2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8206 1.8985 -3.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0095 3.0372 -1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2968 3.2525 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3684 1.2451 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3312 1.2400 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9413 1.7391 1.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8775 3.1314 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4020 4.3510 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2711 3.9429 -0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1554 1.4900 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8502 2.5289 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0602 1.8807 -1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7363 -0.3040 -2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7388 -0.9324 -0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8671 -0.2550 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8418 -2.6273 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0121 -3.5010 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1764 -2.6626 2.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0358 -0.9709 2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6046 -2.9338 2.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 -1.0953 3.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8779 0.7938 4.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0367 0.4472 3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6377 2.5308 2.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9352 2.3896 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0024 -0.7342 1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6007 0.3653 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 0.1828 2.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6338 1.1272 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3709 -2.5720 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2419 -3.3608 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -2.0913 -1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0104 -4.4794 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5966 -3.7497 -1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 -5.4190 -3.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 -6.0613 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 -7.2950 -4.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -8.3736 -2.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0663 -7.4339 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2962 -9.8911 -1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 -8.7159 -1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4421 0.6622 -2.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 1.0282 -3.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 2.4762 -2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5272 3.1684 -2.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 2.0407 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 3.7038 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 3.8357 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3085 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 1.6512 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 2.2242 0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 0.1409 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 -1.0214 2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6118 0.3458 3.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2288 1.1800 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 -1.7833 2.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5082 -1.8700 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7885 0.2106 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9533 -0.3509 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 1.5397 -0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2064 3.5371 0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5784 3.3586 2.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 1.7650 2.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5425 4.5920 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6655 4.0394 0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 1.2649 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5026 1.9866 1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3266 0.0236 0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1881 0.8078 -0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2391 0.6056 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2047 1.2480 -0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2460 2.8998 -2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2885 3.5368 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2426 3.0796 -1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4619 1.9904 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1233 3.7730 -3.1682 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 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 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 1 27 94 1 0 27 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 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 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M END