HMDB0007997 RDKit 3D PC(16:0/P-18:1(9Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -8.0920 2.9756 -0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1603 1.4847 -0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7780 0.9384 -1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1286 1.5949 -2.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7555 0.9769 -2.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9825 1.5558 -3.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7735 3.0341 -3.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0042 3.5919 -4.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 3.0214 -4.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 3.7099 -4.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 5.1481 -4.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 5.5443 -3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7436 5.1823 -3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 5.5414 -2.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 4.9004 -1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 4.5636 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 3.4783 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 3.4704 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 4.4811 0.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 4.3279 1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8787 3.0993 1.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 1.9535 1.0375 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 0.6663 0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7619 0.4325 0.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 -0.4862 0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2897 -1.7646 0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 -2.8685 0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 -3.1265 1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5117 -4.2276 1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2164 -4.5346 2.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 -5.5894 2.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -6.8669 1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 -7.9227 1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9405 -7.5281 0.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -7.1968 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6395 -6.7962 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3672 -5.5867 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5003 -5.2611 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 -4.9414 -3.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0129 4.0945 2.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1793 5.1791 2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 4.9849 3.7756 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2320 5.0933 5.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1313 6.1742 3.6273 O 0 0 0 0 0 1 0 0 0 0 0 0 1.6712 3.4600 3.6952 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 3.1140 4.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9088 1.7596 4.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 0.7115 4.4284 N 0 0 0 0 0 4 0 0 0 0 0 0 2.5241 -0.5871 4.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 0.6489 2.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6726 0.8986 5.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1972 3.5044 -1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8820 3.3163 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1234 3.2772 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8980 1.2237 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5043 1.0251 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 1.1758 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8595 -0.1347 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7782 1.3709 -3.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0924 2.6877 -2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9094 -0.1027 -2.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1677 1.0582 -1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5209 1.3463 -4.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 1.0092 -3.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7999 3.5089 -3.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3612 3.3255 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 3.2128 -5.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0972 4.6762 -4.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5589 1.9556 -5.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 3.2040 -5.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 5.6014 -5.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4528 5.6514 -4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 6.6937 -3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2339 5.1882 -2.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8608 4.0536 -3.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2049 5.6077 -4.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6899 5.6014 -2.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 6.6928 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 5.4932 -0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 3.9410 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 4.1901 0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9446 5.4546 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 2.5775 -1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1433 2.5769 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 5.1820 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 3.0651 2.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 3.2176 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0178 -0.5250 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 -0.2753 -0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7719 -1.6287 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 -2.0496 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5173 -2.6165 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -3.8017 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2399 -3.4989 2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -2.2144 1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -5.1093 0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 -3.8860 0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4941 -4.8754 3.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 -3.6099 2.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 -5.8239 3.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 -5.2402 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -6.7293 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9327 -7.2726 2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 -8.7896 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0885 -8.2403 2.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6251 -8.4137 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 -6.6839 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -6.3809 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9834 -8.0762 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -6.5183 -2.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 -7.6240 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8689 -5.8425 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 -4.7042 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -4.3612 -1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2159 -6.1134 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -5.7590 -3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6061 -4.0422 -3.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9658 -4.6884 -3.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4339 3.1493 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 3.9110 3.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 3.8176 5.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5426 3.0801 5.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4879 1.4743 5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 1.8094 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 -0.6707 5.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8593 -1.3543 4.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 -0.7073 4.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 1.5025 2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2326 -0.3007 2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7688 0.6924 2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 -0.0399 4.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1614 1.7000 4.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 1.1044 6.1081 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 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 2 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 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 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 1 0 38 39 1 0 20 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 49125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 51133 1 0 M CHG 2 44 -1 48 1 M END