HMDB0114344 RDKit 3D PE-NMe2(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) 147146 0 0 0 0 0 0 0 0999 V2000 3.4573 -3.7352 -4.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -2.9598 -5.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 -2.5609 -4.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -1.7771 -5.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 -0.5207 -6.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 0.7445 -5.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1599 1.2659 -4.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5702 0.4948 -3.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 1.3570 -3.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 1.7761 -1.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 1.4832 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 2.8094 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1672 3.2004 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6148 2.3626 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 2.0341 2.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 2.3591 4.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9255 3.1211 4.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 2.3221 5.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3361 1.0939 5.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3006 0.0111 4.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4608 -0.7267 4.2002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 -0.3962 4.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 -1.5384 4.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 -2.0354 4.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3099 -1.1476 3.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 0.0750 4.0747 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6537 0.9820 3.1653 P 0 0 0 0 0 5 0 0 0 0 0 0 5.3537 0.7034 1.6901 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1982 0.3839 3.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5742 2.6161 3.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 3.3963 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6393 4.8400 2.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 5.7254 1.5812 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 5.6258 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0032 5.4565 0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -3.2450 3.4351 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -4.4857 3.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 -4.6204 5.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4979 -5.6377 2.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 -5.2574 1.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6609 -4.6433 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5408 -5.5157 2.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 -4.6424 1.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9347 -5.3649 2.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1873 -4.6035 2.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7853 -3.9181 1.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1021 -2.7451 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8709 -2.1690 -0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2683 -1.6757 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8642 -1.1309 -1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2751 0.1278 -1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1544 1.1054 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3067 2.2877 -0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5458 3.3314 -1.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5272 2.9504 -3.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6832 4.2075 -3.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6605 3.7902 -5.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7909 4.9780 -6.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0899 5.6953 -6.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 -4.7968 -4.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 -3.3410 -3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8976 -3.6408 -3.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7362 -3.6277 -6.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 -2.0518 -5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 -2.1014 -3.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 -3.5298 -4.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 -1.8094 -5.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5826 -2.4918 -6.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 -0.7845 -6.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3812 -0.3431 -7.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 1.5313 -6.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 2.3345 -4.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 -0.3807 -3.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 0.2017 -2.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 1.6131 -3.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3787 2.4006 -1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 0.9400 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 0.8618 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 3.4775 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 4.1947 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0708 1.4743 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0804 3.0188 2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6196 1.4513 2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8526 2.0396 4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 3.9967 5.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 3.5475 4.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2618 2.0299 6.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2202 2.9801 6.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 0.7101 6.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2667 1.4178 5.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -1.2745 3.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -2.3300 4.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 -2.2519 5.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3135 -1.6542 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -1.0287 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 -0.3440 2.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 3.1617 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8033 3.1722 1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6998 5.0487 3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4726 5.1097 3.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1128 6.6264 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9082 5.4366 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 4.8816 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8361 4.6212 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8331 5.2281 1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 6.3442 0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -6.4531 3.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5394 -6.0128 2.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 -4.5099 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 -6.1515 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 -4.5101 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 -3.6446 1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3626 -6.4098 1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 -5.8060 3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 -4.5169 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -3.6724 2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6987 -5.8205 3.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 -6.3073 1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9857 -5.3218 2.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1562 -3.8359 3.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0176 -4.6763 0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8394 -3.5896 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 -1.9253 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -2.8631 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -1.3020 -0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9407 -2.9501 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8653 -2.5857 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1475 -1.0073 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9972 -1.8070 -2.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 0.4058 -2.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2343 1.5278 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9772 0.6789 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2226 1.9065 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2238 2.7723 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7098 4.1068 -1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4684 3.9502 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6939 2.3429 -3.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4834 2.4085 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5885 4.7514 -3.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8126 4.8642 -3.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5402 3.1112 -5.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 3.1985 -5.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8333 4.6035 -7.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9556 5.6790 -6.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9007 4.9823 -5.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3573 6.2787 -6.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9993 6.3989 -5.1869 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 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 2 0 20 22 1 0 22 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 24 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 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 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 59147 1 0 M END