HMDB0013437 RDKit 3D PC(O-18:2(9Z,12Z)/22:0) 151150 0 0 0 0 0 0 0 0999 V2000 3.7233 2.2897 -1.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 3.6867 -1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 3.9803 -3.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8376 5.3327 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 5.6847 -2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 4.8330 -2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 4.1088 -1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 4.0868 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2313 4.5775 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6131 3.8477 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2105 2.4628 2.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 2.5277 3.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 1.1966 4.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2312 0.2391 4.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 -1.0876 5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1434 -1.8659 4.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4656 -2.2197 2.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 -3.0421 2.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 -2.4988 1.6239 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2559 -3.4839 0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -3.0602 0.3494 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4841 -2.6726 1.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7545 -2.2682 1.0328 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 -1.8332 2.4380 P 0 0 0 0 0 5 0 0 0 0 0 0 8.0342 -1.5035 2.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6003 -3.1598 3.4745 O 0 0 0 0 0 1 0 0 0 0 0 0 5.8739 -0.4708 3.1374 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -0.2830 4.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7349 0.8959 5.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9298 2.1450 4.4025 N 0 0 0 0 0 4 0 0 0 0 0 0 7.2908 2.6427 4.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0789 3.1533 5.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5853 2.0970 3.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 -1.9672 -0.5391 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 -2.1284 -1.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1609 -3.2890 -2.1842 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.0979 -2.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4148 -1.5544 -4.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0742 -2.1680 -4.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 -3.3566 -3.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 -3.7220 -4.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2256 -4.8856 -3.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6403 -5.2570 -3.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -4.0724 -3.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 -3.5639 -2.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -2.3721 -2.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6835 -1.7626 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2203 -2.6169 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5944 -3.1286 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7376 -2.2248 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0652 -1.1725 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4069 -1.5604 -2.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7143 -0.3201 -2.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5946 0.6565 -2.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 1.8722 -3.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 2.8329 -3.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2202 4.0259 -4.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7637 1.8967 -2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 1.6068 -1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 2.2791 -1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 3.7260 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9679 4.4241 -1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 3.8006 -3.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6459 3.2154 -3.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 5.4257 -4.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 6.1532 -3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 5.8646 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 6.7439 -2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9612 4.7820 -3.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8131 3.4803 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 3.0498 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 4.7127 0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6253 5.5937 1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3404 4.3236 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 1.7900 2.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 1.9936 1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 3.1618 3.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 3.0404 4.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3379 1.4017 5.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 0.7550 3.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 0.6737 5.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 0.0626 3.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 -0.9577 6.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -1.7602 5.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -2.8145 4.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -1.2913 4.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7485 -1.2596 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4414 -2.7633 3.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -3.2724 1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5673 -4.0350 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5622 -3.7834 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3368 -4.3701 1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0314 -3.9541 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0367 -1.9345 2.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6773 -3.5963 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4801 -0.2013 4.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1632 -1.1715 5.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 0.9710 6.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.7075 5.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9715 2.1594 3.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2496 3.7278 4.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6332 2.6262 5.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9115 2.9282 6.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5337 4.1606 4.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1025 3.1686 4.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6559 1.5037 2.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3945 1.6632 2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3601 3.1177 2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8739 -0.3149 -2.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6074 -0.5278 -2.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1768 -2.2974 -4.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 -0.6960 -5.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9544 -2.4521 -5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2462 -1.3996 -4.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 -4.2381 -3.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 -3.0305 -2.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -3.9404 -5.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3438 -2.8397 -3.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 -5.7606 -3.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1831 -4.6745 -2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -5.5053 -4.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 -6.1161 -3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6089 -4.3676 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3117 -3.2338 -4.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6315 -3.3307 -1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0605 -4.3718 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4996 -2.7340 -2.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1662 -1.5885 -2.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6198 -1.4964 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1671 -0.7844 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5064 -3.4883 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0426 -2.0531 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6654 -3.8449 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6816 -3.8552 -0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6142 -1.6936 1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7091 -2.8098 0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0428 -0.6959 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 -0.2940 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3769 -2.1382 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 -2.1155 -2.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6223 0.1990 -2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9058 -0.6935 -3.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2279 1.0840 -1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6978 0.2324 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8261 2.3945 -3.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2312 1.5021 -4.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 3.2085 -2.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9383 2.3646 -4.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7876 4.7897 -4.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8499 3.6731 -5.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3295 4.5528 -5.0719 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 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 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 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 20 91 1 0 20 92 1 0 21 93 1 6 22 94 1 0 22 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 31100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 33108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 57151 1 0 M CHG 2 26 -1 30 1 M END