HMDB0113533 RDKit 3D PE-NMe(22:0/24:0) 166165 0 0 0 0 0 0 0 0999 V2000 -10.5946 -0.6753 -5.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9776 -0.8755 -4.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6232 -1.5843 -4.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1327 -1.7147 -2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7942 -2.4123 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3494 -2.5066 -1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0075 -3.1948 -1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5683 -3.2613 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2244 -3.9075 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -3.9207 1.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -4.5317 2.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 -4.5516 3.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3363 -5.1452 3.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 -5.2000 5.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 -5.7476 4.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 -7.1310 4.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8816 -7.5135 4.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6681 -6.5480 3.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 -6.5680 2.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 -5.5965 1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 -5.6790 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7763 -4.7300 -1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6307 -3.3311 -0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -2.2992 -1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5137 -2.6963 -2.7567 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0461 -0.9662 -1.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 0.0681 -2.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2762 0.9983 -2.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2529 2.0303 -3.2902 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2645 1.7369 -4.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 0.5046 -4.9391 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1653 2.6751 -5.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 4.1402 -5.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 4.4066 -4.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7061 3.8750 -4.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 4.2157 -3.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 3.5831 -3.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 2.1107 -3.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 1.2605 -2.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 0.9878 -1.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 2.0669 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 2.8772 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 3.8811 1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 4.7203 0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 5.7829 1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8733 5.3810 3.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 4.3780 3.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2893 4.7168 2.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1851 3.5306 3.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5973 3.6743 2.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7606 3.7525 1.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2793 2.5136 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6464 0.7554 -1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 1.2684 -0.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5176 1.9733 0.3828 P 0 0 0 0 0 5 0 0 0 0 0 0 7.6163 1.3444 1.7815 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9251 1.6748 -0.4926 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 3.6476 0.5737 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 3.9719 1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0998 5.4695 1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1943 6.1932 0.1093 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0161 6.0193 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5096 0.3954 -5.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7041 -0.8915 -5.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1692 -1.3241 -6.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7897 0.1140 -3.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6409 -1.4693 -3.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7669 -2.5462 -4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9171 -0.9755 -4.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0567 -0.6791 -2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8872 -2.3326 -2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0282 -1.8446 -3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9271 -3.4416 -3.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1098 -3.0943 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 -1.5049 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2613 -2.6779 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1857 -4.2496 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3081 -3.8164 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4733 -2.2353 0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -3.3391 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2821 -4.9413 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -2.8806 2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 -4.6009 2.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 -4.0367 1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -5.6075 1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -5.2152 4.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -3.5722 4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3141 -6.1855 3.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 -4.5347 2.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 -5.8015 5.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9415 -4.1833 5.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8739 -5.0189 4.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 -5.7245 5.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 -7.8119 5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9114 -7.3345 3.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2357 -7.4497 5.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 -8.5245 4.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7018 -6.9808 3.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7782 -5.5535 3.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0282 -6.4007 2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 -7.5867 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7897 -4.5859 1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8828 -5.9183 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1055 -5.3503 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1584 -6.7268 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1366 -4.8283 -2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 -4.9916 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -3.0827 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -3.1589 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -0.3688 -3.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3388 0.3589 -2.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 1.4330 -1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 2.6007 -6.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2301 2.4680 -6.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7768 4.6824 -6.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0722 4.5339 -5.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 4.1559 -3.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 5.5384 -4.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7068 2.7879 -4.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 4.3921 -5.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 5.3301 -3.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 4.0285 -2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9607 3.9670 -4.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 3.9395 -2.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 1.7806 -3.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0451 1.8424 -4.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 0.2286 -2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 1.5550 -2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 0.2844 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3279 0.2874 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1346 1.5876 0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 2.7133 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 2.1827 0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 3.4946 -0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0981 3.2809 2.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 4.4829 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 4.0444 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 5.1187 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 6.3523 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 6.5550 1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2738 6.3304 3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 5.1578 3.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0644 4.2228 4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6917 3.3585 3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2473 4.6457 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7096 5.6719 3.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6992 2.5771 3.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1927 3.5067 4.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1231 2.7365 3.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0594 4.5275 3.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3339 4.6815 0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8752 3.8531 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3283 2.1490 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1720 2.6106 -0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0275 1.6913 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0332 1.5721 -2.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4637 0.0363 -1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1842 2.4944 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1353 3.5084 2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2728 3.6576 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1684 5.8041 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9481 5.8056 2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2113 7.2247 0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6775 6.9868 -1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 5.6077 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 5.2966 -1.5313 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 1 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 1 0 17 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 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 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 50 51 1 0 51 52 1 0 27 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 9 81 1 0 10 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 18 99 1 0 19100 1 0 19101 1 0 20102 1 0 20103 1 0 21104 1 0 21105 1 0 22106 1 0 22107 1 0 23108 1 0 23109 1 0 27110 1 0 28111 1 0 28112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 46141 1 0 46142 1 0 47143 1 0 47144 1 0 48145 1 0 48146 1 0 49147 1 0 49148 1 0 50149 1 0 50150 1 0 51151 1 0 51152 1 0 52153 1 0 52154 1 0 52155 1 0 53156 1 0 53157 1 0 57158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 62164 1 0 62165 1 0 62166 1 0 M END