HMDB0007923 RDKit 3D PC(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 130129 0 0 0 0 0 0 0 0999 V2000 -0.0382 -5.7882 -4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3358 -5.2566 -5.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5753 -4.1235 -5.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0451 -4.5645 -5.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9038 -3.4841 -6.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 -2.9324 -5.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2916 -3.2565 -4.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2061 -2.0384 -3.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9725 -0.9397 -3.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1952 0.3500 -3.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0285 0.3255 -1.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2884 1.7832 -1.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1544 2.5978 -1.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6014 2.4790 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3867 2.1533 1.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2902 2.7027 0.4678 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7763 2.7010 1.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9626 1.6798 2.7345 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0741 2.1325 3.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7031 2.0448 3.5531 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 2.4833 4.9755 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4832 1.8838 6.1796 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 4.1668 5.1364 O 0 0 0 0 0 1 0 0 0 0 0 0 1.7511 1.8664 4.8391 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 2.7602 5.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0164 2.1723 5.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 2.9653 5.8071 N 0 0 0 0 0 4 0 0 0 0 0 0 6.2576 2.1034 5.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7192 3.4183 7.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 4.1617 5.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 0.3467 2.5567 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4219 -0.6641 3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4862 -0.1780 3.6595 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -2.0948 3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -2.5614 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 -4.0313 1.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5367 -4.7259 1.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1533 -4.1792 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3657 -4.6698 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8721 -4.0327 -0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -2.6337 -1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9473 -1.6815 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 -0.6290 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 -0.2130 -1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4811 1.0160 -1.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4937 1.8579 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6869 1.8195 -0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 3.0412 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 3.8619 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8633 3.6150 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 4.7869 -1.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1617 4.5488 -2.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 4.3958 -2.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8855 5.6014 -1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7794 -6.6409 -4.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 -6.1876 -3.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4864 -5.0177 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -4.8179 -5.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 -6.0580 -6.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2723 -3.6696 -6.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -3.3132 -5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 -5.3876 -6.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3222 -5.0398 -4.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -3.1301 -7.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4365 -2.1460 -6.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4039 -3.4722 -4.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7855 -4.1180 -3.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 -2.4011 -2.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 -1.7946 -3.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4551 -0.7495 -4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9695 -1.3727 -4.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2253 0.8890 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7909 0.9994 -3.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5151 -0.2244 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 -0.1115 -2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1392 1.8508 -0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7262 2.2158 -2.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5008 3.6937 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3342 2.5423 -2.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6462 2.8974 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 3.7040 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9938 1.7432 3.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2603 1.4988 4.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 3.1906 4.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3538 2.9095 6.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 3.7430 4.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0118 1.1483 5.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 2.0528 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1058 2.7028 5.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4653 1.8235 6.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1386 1.1867 5.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1826 2.5930 7.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6807 3.6375 7.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 4.3116 7.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 4.0537 4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6467 4.2485 4.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 5.0840 5.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -2.6717 3.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5797 -2.4796 3.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8022 -2.0232 1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -2.3136 0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5997 -4.5457 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 -5.8462 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 -3.1215 1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 -4.6594 2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2853 -5.7965 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1936 -4.6957 -1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5877 -2.3498 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 -2.4942 -1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 -1.8316 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 -0.0575 0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 -0.1348 -0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9052 -1.0698 -1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 1.2873 -2.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4438 2.7680 -2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7386 0.9851 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6028 1.6577 -1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8502 3.2248 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7386 4.7896 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7803 3.6968 -0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9651 2.7359 -1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0885 4.8845 -2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0965 5.7374 -1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1897 5.3250 -3.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9588 3.5967 -3.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2659 4.2611 -2.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5368 3.4593 -1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5026 5.2368 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 6.2445 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6189 6.2339 -1.9454 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 2 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 2 0 14 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 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 17 80 1 0 17 81 1 0 18 82 1 1 19 83 1 0 19 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 28 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 30 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 54130 1 0 M CHG 2 23 -1 27 1 M END