HMDB0114587 RDKit 3D PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) 131130 0 0 0 0 0 0 0 0999 V2000 1.2958 1.5724 5.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3918 0.4566 6.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0527 -0.2585 7.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3015 -1.5320 7.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -2.3770 6.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 -3.4108 6.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2189 -3.6261 6.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -2.8309 5.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3972 -3.6244 4.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6413 -3.7687 3.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8571 -3.2361 4.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7212 -2.4515 5.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0914 -1.2303 5.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -0.2786 4.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2618 -0.6105 3.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8396 -0.0805 2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7641 0.9466 2.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2842 2.2203 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 2.8272 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0116 2.2944 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8223 3.1715 -0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 3.4230 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 4.2598 1.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7774 2.7427 0.9267 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1263 2.8866 1.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 1.9465 1.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 0.5477 1.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6646 -0.3807 1.2979 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9516 -1.8922 1.1153 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0006 -2.5669 2.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 -2.8316 -0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6401 -1.6984 0.6296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -1.7943 -0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -1.6405 -1.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1981 -1.7381 -2.6899 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5724 -0.6267 -3.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5757 -1.9041 -3.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 2.2562 0.5685 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2545 2.4282 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 2.3087 1.2737 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 2.7655 -1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 3.3874 -1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0135 3.7484 -3.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4248 2.5056 -4.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7605 2.8737 -5.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1144 2.4295 -6.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9881 1.5158 -6.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0336 0.3386 -7.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9829 -0.8922 -6.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8975 -1.3359 -5.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7308 -2.5042 -5.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 -2.6947 -4.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4578 -1.6940 -3.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9012 -1.8320 -4.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6033 -0.9395 -4.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1101 0.3933 -5.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 0.5599 -6.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 2.3055 5.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 2.1167 6.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 1.1589 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1078 -0.0954 5.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 1.0604 6.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3715 0.2859 8.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 -2.0758 7.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 -2.9659 5.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -1.8954 5.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -4.0715 7.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8124 -4.4363 6.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -2.1988 4.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 -2.0458 5.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5986 -4.1394 3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7953 -4.4288 2.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5383 -2.8284 3.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4854 -4.1740 4.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2552 -3.0216 6.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8322 -0.8704 6.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1891 0.7070 4.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7055 0.0589 5.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1074 -1.3329 3.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3131 -0.4170 1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1759 1.0713 3.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 0.5216 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0445 2.7331 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4462 3.8011 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7306 1.2327 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5691 2.2901 -1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 4.1375 -0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1451 2.7155 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5368 3.8999 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 2.6289 2.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9712 1.8717 2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 0.2794 2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.6514 0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7604 -2.8287 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -1.0411 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -2.8431 -1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6029 -0.7119 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7657 -2.4826 -0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0213 -0.4487 -4.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4912 -0.7640 -3.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6718 0.2729 -2.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6181 -1.7665 -4.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1616 -1.0800 -2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9406 -2.9185 -2.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 3.3844 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 1.7847 -1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 2.7251 -1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 4.3477 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 4.4335 -3.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1441 4.2486 -3.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 2.1095 -3.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 1.7411 -3.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6055 3.5661 -5.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 2.8085 -7.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 2.1655 -6.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5798 1.3190 -5.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 0.5462 -8.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -1.6735 -7.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0311 -0.5259 -4.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 -1.6684 -5.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3469 -3.4354 -5.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1971 -3.7223 -4.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4683 -2.0664 -2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 -0.6709 -3.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4106 -2.7937 -3.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6767 -1.1372 -5.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6499 1.2093 -4.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 0.4965 -5.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2248 0.0769 -6.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 0.1958 -7.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 1.6447 -6.9553 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 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 31 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 36 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 37104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 57131 1 0 M END