HMDB0113158 RDKit 3D PE-NMe(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 138137 0 0 0 0 0 0 0 0999 V2000 5.4595 -3.9249 -8.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 -4.6199 -8.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 -4.5445 -7.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 -3.2046 -6.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1686 -2.2727 -7.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7751 -1.8803 -8.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -2.0338 -10.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 -2.6754 -10.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -1.6885 -11.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -1.2135 -10.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7636 -1.5337 -9.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -0.3168 -8.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8332 -0.0583 -7.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1346 -0.9997 -6.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 -1.3357 -5.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6859 -1.0974 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -0.4559 -3.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7114 0.8238 -3.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 1.5229 -2.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 0.6115 -1.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 1.3022 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 0.2312 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -0.2624 -0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 -0.1954 0.6816 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 -1.2037 1.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2073 -2.4232 1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 -2.0179 1.7005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2094 -2.8286 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1042 -3.9792 1.1492 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -2.1943 2.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6685 -3.0583 1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0245 -2.5976 2.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4394 -2.5287 3.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6647 -1.7402 4.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 -1.8037 5.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -1.0621 6.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4054 -1.6803 7.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2735 -1.0573 6.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2084 0.3493 6.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 1.2318 7.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4122 2.6717 7.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 3.2578 6.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 4.7277 6.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 4.9175 5.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 6.4201 4.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 6.7109 3.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0495 -0.7776 2.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 0.3772 3.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 0.8280 4.8521 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3115 0.4859 5.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9266 0.1441 5.7247 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 2.5262 4.9421 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 3.0252 3.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 4.5301 3.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8184 4.8756 3.8172 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 6.3095 3.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1142 -4.5207 -7.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9948 -3.7446 -9.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 -2.9500 -7.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -4.3710 -9.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4154 -5.7160 -8.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -5.0560 -6.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3763 -5.1992 -7.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3217 -3.3793 -5.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8765 -2.7268 -6.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -1.3295 -6.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -2.6997 -7.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 -1.3748 -8.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 -1.6627 -10.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -3.6045 -10.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4793 -3.0530 -9.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -1.3007 -12.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.4748 -11.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -1.9843 -10.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 -2.2901 -8.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 0.4856 -9.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1327 0.9018 -7.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 -0.5523 -6.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 -2.0076 -7.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9544 -1.8163 -5.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 -1.3806 -3.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2001 -0.1999 -4.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 -1.1794 -3.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3891 0.5938 -2.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 1.5339 -3.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3126 2.4379 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 1.8172 -3.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 -0.2632 -2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7518 0.2412 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2332 1.7147 -2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2818 2.0731 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 -1.5765 1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 -3.2622 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 -2.7204 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -1.2712 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4511 -1.8648 3.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -3.3814 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4975 -4.0334 2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7439 -3.3301 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -1.6371 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5573 -2.2458 3.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5196 -3.6281 3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5308 -0.7087 4.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 -2.1804 4.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5804 -2.8492 6.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4606 -1.3864 5.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3241 -1.2936 7.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 0.0094 6.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 -2.7445 7.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3388 -1.6235 7.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1113 0.7477 6.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 0.3214 5.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 1.1965 8.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 0.8399 7.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 2.8150 6.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0221 3.2059 8.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3453 3.2637 7.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 2.6864 6.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7767 5.0564 6.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 5.3040 7.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0209 4.5617 5.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 4.3759 4.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5085 6.8904 5.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0955 6.7278 4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 6.9283 3.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 7.6116 3.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 5.8046 2.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -0.5738 3.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4107 -1.5589 3.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 -0.5388 5.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 2.7746 3.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 2.5996 2.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9414 4.9217 2.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 4.9651 4.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3612 4.4563 3.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3185 6.7915 4.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0280 6.5531 3.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6799 6.6420 2.7667 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 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 2 0 28 30 1 0 30 31 1 0 31 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 2 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 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 51130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M END