HMDB0113575 RDKit 3D PE-NMe(22:2(13Z,16Z)/20:0) 150149 0 0 0 0 0 0 0 0999 V2000 2.7165 -2.9352 8.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2698 -2.8168 8.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8276 -2.1882 6.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 -0.7937 6.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6486 -0.4462 6.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -1.1295 5.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 -0.5535 4.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8768 0.8873 3.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 1.3229 3.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8097 1.8912 2.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0098 2.1525 1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 3.6512 1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0562 3.7795 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8264 5.1939 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 5.2894 -1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6994 4.6575 -2.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8952 4.6636 -4.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6256 3.8589 -4.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 3.8119 -5.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 2.8894 -4.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2581 2.7981 -6.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4044 1.8817 -6.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 1.7561 -6.9304 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 1.0932 -4.8798 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 0.2211 -4.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0471 0.7991 -4.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0515 -0.3576 -4.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8364 -0.8761 -3.3807 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8112 -2.1739 -2.9868 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9360 -3.4303 -2.8739 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9630 -2.5284 -4.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5332 -1.9867 -1.4725 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3761 -3.1224 -0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0087 -2.9435 0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3925 -1.8227 1.3764 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0255 -2.1017 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3605 1.7086 -3.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7788 2.9895 -3.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8798 3.4293 -5.0851 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1335 3.9212 -2.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1756 3.3838 -1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8705 2.8756 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 3.9567 -0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5912 3.5683 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 2.6264 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0119 1.2281 -1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6794 0.5841 -1.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 -0.8279 -1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3518 -1.7146 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 -3.1701 -1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 -3.7020 -1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8886 -3.6490 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 -4.1751 -0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 -4.1321 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5478 -4.6096 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2040 -3.7446 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 -4.2887 -1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 -4.2402 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 -3.9496 8.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1172 -2.1528 8.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3581 -2.9443 7.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8015 -2.2908 8.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8312 -3.8680 8.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 -2.2295 6.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 -2.8373 5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 -0.3653 5.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 -0.1740 7.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 0.6654 6.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 -0.5975 7.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1886 -2.2425 5.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -1.2031 3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1904 1.2466 3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4971 1.4481 4.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9305 1.1411 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8744 2.1729 2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6071 1.7357 0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0013 1.7701 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9268 4.0124 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4291 4.1323 2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1213 3.2435 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6573 3.2677 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 5.6818 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 5.7966 -0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0185 4.8173 -1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8928 6.3752 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 3.6525 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 5.3022 -3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 4.2093 -5.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6778 5.7018 -4.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7598 2.8433 -3.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 4.4474 -3.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4136 3.3498 -6.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4516 4.8035 -5.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9657 3.4696 -4.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0472 1.9288 -4.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6497 2.6293 -7.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 3.8312 -6.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5639 -0.2390 -3.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6175 -0.6723 -5.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2159 1.2351 -5.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8758 -1.1406 -5.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0866 0.0487 -4.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5469 -1.7546 -4.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7617 -4.0445 -1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2765 -3.2165 -0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7368 -3.8526 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1008 -2.8793 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9073 -1.5843 2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6521 -1.5766 2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3375 -1.8653 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 -3.2068 1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4258 4.7819 -2.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1358 4.4053 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 2.5667 -1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5214 4.2175 -0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6007 1.9495 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1375 2.5940 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 4.5257 -1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 4.7491 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 4.5343 0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 3.2473 0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 2.5524 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1738 3.0451 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 0.6609 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6383 1.1262 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.1911 -2.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0909 0.7471 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 -0.8846 -2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 -1.1891 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4116 -1.4633 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 -1.6794 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 -3.8138 -0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0486 -3.1998 -2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 -3.1306 -2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 -4.7795 -1.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -4.3375 0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 -2.6213 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -3.4731 -1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 -5.2170 -1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1892 -3.0975 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 -4.8595 1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4549 -5.6264 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 -4.7507 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 -2.7117 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6311 -3.8025 -2.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1234 -3.6285 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 -5.3040 -1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4618 -5.2551 0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8354 -3.5714 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3749 -3.8114 -0.2463 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 1 0 13 14 1 0 14 15 1 0 15 16 1 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 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 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 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 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 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 27101 1 0 27102 1 0 31103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 0 54141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 57146 1 0 57147 1 0 58148 1 0 58149 1 0 58150 1 0 M END