HMDB0113670 RDKit 3D PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 140139 0 0 0 0 0 0 0 0999 V2000 4.9637 -0.9194 2.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 0.0531 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4603 -0.3602 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7175 -0.4850 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -0.1707 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6183 -0.7676 -2.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 -0.2716 -2.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0021 1.0247 -2.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4017 1.7593 -3.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 2.2554 -4.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 2.2874 -4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 3.3613 -4.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 3.9251 -4.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 3.6298 -2.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4009 4.7627 -2.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 4.8806 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 4.0552 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3903 3.6923 0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 3.1357 2.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 2.5752 2.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5765 1.7823 1.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 2.9376 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 2.2623 0.3312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 4.0582 1.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 5.1614 1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 5.3094 1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0776 5.2299 2.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 3.9730 2.8335 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 3.0715 3.5715 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1536 3.4158 4.9625 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1228 3.0635 2.5518 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2348 1.4602 3.6956 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 0.5568 3.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7223 -0.7617 3.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 -1.8876 3.2809 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -2.0040 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 4.2985 0.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3845 4.6002 -1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0944 5.7143 -1.6095 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 3.5860 -2.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6735 2.5313 -1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 1.1409 -1.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2886 0.7517 -2.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7863 -0.8255 -2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -1.1910 -4.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -1.7762 -3.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3624 -2.1578 -2.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9742 -3.5746 -2.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -4.1565 -2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1078 -3.4943 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0544 -4.6596 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9402 -5.0658 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.2123 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1015 -4.1911 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 -5.0680 -1.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9127 -6.4293 -1.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -6.8004 -2.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 -7.8289 -2.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -8.8056 -1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -8.5451 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1378 -1.6771 2.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9287 -1.4526 2.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8258 -0.3732 3.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 0.4570 1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 0.9487 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5128 -0.7243 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 -0.7771 -1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8769 -0.7887 -0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 0.8334 -0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1798 -1.5973 -2.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1281 -0.8798 -3.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 0.8476 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8918 1.7539 -2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7689 1.7341 -3.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 2.8291 -5.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 1.5411 -5.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 1.6030 -3.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9372 3.8709 -6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7967 4.6088 -4.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 2.6222 -2.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 3.9177 -2.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8005 5.3150 -3.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 5.8041 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 3.0892 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4255 4.4803 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 2.8638 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 4.5899 0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 2.7537 2.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 4.2038 2.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1459 1.7107 3.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 3.1424 3.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0141 1.1481 2.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 1.3121 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 6.1062 1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7298 5.0684 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 6.2784 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 6.0289 2.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0868 5.4205 2.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1669 3.8248 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2222 0.4147 2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 0.9456 3.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6732 -0.8414 3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2051 -0.6223 4.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9888 -2.7319 3.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8149 -1.8493 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 -2.9787 1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1334 -1.2717 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3805 3.2359 -2.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8499 4.2049 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8032 2.4758 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5329 2.7630 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0292 1.2337 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 0.4328 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 0.7295 -3.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 1.4328 -3.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8677 -0.5960 -3.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7864 -1.2477 -1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4814 -1.1426 -5.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2946 -2.0494 -4.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -1.9443 -1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 -1.5424 -2.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8156 -4.1625 -3.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -5.1756 -2.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 -2.6741 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 -3.1774 -1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 -5.1493 -0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9035 -5.9635 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -4.6234 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8906 -3.1994 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -3.1894 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 -4.8417 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8294 -6.7108 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 -7.1270 -1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5504 -6.0674 -3.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 -8.1429 -3.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 -8.6319 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 -9.8225 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -9.2442 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -8.5373 0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5577 -7.4909 -0.8952 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 1 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 35 36 1 0 26 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 0 25 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 31 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 36105 1 0 36106 1 0 36107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 58135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M END