HMDB0112962 RDKit 3D PE-NMe(16:1(9Z)/18:0) 128127 0 0 0 0 0 0 0 0999 V2000 9.7961 -0.6899 2.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2163 -0.8556 3.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 -1.9828 4.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7398 -3.3541 3.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -3.7401 2.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9817 -3.6201 1.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3077 -3.9768 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1834 -3.1724 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6893 -1.7907 -0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 -1.6590 -1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 -0.2785 -1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 -0.1142 -2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5074 -1.0625 -1.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 -0.9139 -2.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 0.4454 -2.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2488 0.8296 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 1.9578 -0.9187 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 0.0133 -0.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 0.0776 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 0.0860 1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8761 1.3910 1.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 1.3929 2.5031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6571 2.9489 2.5151 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1150 2.9967 2.9216 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7581 3.8009 3.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3572 3.7537 1.0686 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 5.0514 1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 5.8468 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2783 6.0596 -0.4897 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 4.8999 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 -1.0431 1.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2973 -2.1015 1.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 -1.9832 3.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9438 -3.3364 1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1498 -3.5562 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0717 -2.6175 -0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4691 -2.7513 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4849 -1.8773 -0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8564 -2.0308 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -1.5819 1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5307 -0.1105 1.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5486 0.7569 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1434 2.1878 0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8184 2.4757 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 2.1716 -1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5932 2.4581 -1.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7167 2.1480 -3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 2.4269 -4.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2786 1.5924 -3.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5336 0.1235 -3.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9081 0.4229 2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2036 -1.0747 1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8269 -1.1270 2.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9983 -0.8558 4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6357 0.0966 4.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 -1.9836 5.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3307 -1.7915 3.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9162 -4.0543 4.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5540 -3.5700 4.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4481 -4.8472 2.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0398 -3.2631 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4674 -2.6855 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 -4.4610 1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6853 -4.9953 -0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4567 -3.5239 -1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4514 -1.0520 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4265 -1.4503 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6757 -1.9493 -2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6881 -2.4129 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 0.4138 -1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 -0.0205 -0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2556 0.9342 -2.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8357 -0.3661 -3.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8655 -2.1090 -2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4081 -0.9709 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 -1.2004 -3.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 -1.6282 -2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 1.2133 -2.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7214 0.5142 -3.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 -0.7584 1.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 1.0583 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1594 -0.1402 2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 2.1683 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 1.7495 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 3.5610 4.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 5.5797 1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9468 5.0770 1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0766 6.8673 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1893 5.4394 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 6.9097 -1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 5.0990 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1264 4.5198 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 4.1433 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 -4.1886 1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 -3.5286 2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1749 -3.5401 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -4.6001 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7396 -1.5789 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 -2.8120 -1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7287 -3.8430 -0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4264 -2.5670 1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1198 -0.8538 -0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5581 -2.2633 -1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6534 -1.5362 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0724 -3.1180 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8844 -1.7446 1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1761 -2.1458 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5650 0.1427 2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 0.0291 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5019 0.6496 1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7957 0.4432 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0202 2.4226 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8745 2.8940 0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5903 3.5536 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 1.9067 0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6799 2.8720 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1903 1.1241 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 1.7883 -1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2815 3.5001 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5067 2.7735 -3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9515 1.0876 -3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1151 3.4949 -4.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4849 2.2433 -5.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3839 1.8530 -4.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 1.8126 -2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 -0.1147 -4.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -0.3161 -2.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -0.3746 -4.0612 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 20 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 25 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 30 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END