HMDB0008267 RDKit 3D PC(20:0/18:0) 148147 0 0 0 0 0 0 0 0999 V2000 -0.8770 -3.6763 -4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -2.4042 -5.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7747 -1.3247 -4.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -0.1132 -5.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 1.0397 -5.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 1.5543 -3.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6387 2.0448 -3.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 2.5433 -2.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 3.0838 -2.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4355 3.5935 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 2.5191 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 3.0580 1.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0982 3.6724 1.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 4.1941 2.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 4.8665 2.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9117 3.9589 2.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3155 2.9087 3.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3854 2.0044 2.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7181 1.1388 1.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 0.1980 2.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 0.0577 3.4337 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 -0.5542 1.5655 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -1.4288 2.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9681 -2.1624 1.8019 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4658 -2.8487 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -3.4851 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8563 -4.2935 -1.4553 P 0 0 0 0 0 5 0 0 0 0 0 0 4.0943 -5.1450 -1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 -5.3767 -1.8675 O 0 0 0 0 0 1 0 0 0 0 0 0 3.0794 -3.2123 -2.7102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1585 -2.1762 -2.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 -1.2498 -3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7577 -0.7125 -3.7374 N 0 0 0 0 0 4 0 0 0 0 0 0 3.8461 0.0288 -2.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 0.1715 -4.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7798 -1.7534 -3.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 -1.2274 1.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7253 -1.3271 2.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 -2.2507 3.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 -0.4220 1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.5506 2.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5152 -1.6843 2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1087 -3.0583 2.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 -4.0378 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0212 -4.0110 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1573 -5.0176 1.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8940 -4.9238 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5111 -3.5339 0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 -3.2514 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0829 -1.8855 1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0749 -0.7645 1.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7576 0.5738 0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7523 1.6880 1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6827 1.6091 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7176 2.7786 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6368 2.7036 -0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2018 -3.5429 -3.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5648 -4.4658 -5.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -4.1446 -4.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4002 -2.6076 -6.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0751 -2.0479 -5.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 -1.0534 -3.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -1.6763 -4.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6961 0.1974 -5.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 -0.3366 -6.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6205 0.7516 -5.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 1.8926 -5.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 2.4751 -3.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1966 0.8555 -3.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 2.9370 -4.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 1.2760 -4.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 1.6859 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 3.3266 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2731 3.9045 -3.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 2.2785 -2.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 4.4650 -0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 3.9883 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 2.1314 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0237 1.6766 -0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 2.1670 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 3.7212 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 2.9891 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 4.5954 0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 3.4043 3.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7426 4.9616 3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0061 5.2102 3.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 5.7652 2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8386 4.6070 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7885 3.4864 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8175 3.3416 4.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 2.3471 3.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9305 1.4058 3.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1084 2.6620 2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5801 0.5487 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 1.7078 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8196 -0.9213 3.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8629 -2.1915 2.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -2.9186 2.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 -2.0448 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -3.5662 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -2.5948 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1824 -1.6567 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2903 -1.7923 -4.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7339 -0.3866 -3.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 -0.4687 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3442 1.0110 -2.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8714 0.2164 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 0.1309 -5.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -0.1911 -5.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6218 1.1805 -4.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 -2.0844 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -1.2663 -4.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4662 -2.5664 -4.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.6189 2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 -0.3204 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -0.2769 3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2376 0.3847 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 -1.7346 1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4307 -1.4054 3.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -3.1163 3.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -3.5240 2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9758 -3.8450 3.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8397 -5.0620 2.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3584 -4.0753 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5354 -3.0031 1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6836 -6.0193 1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7795 -4.8558 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1809 -5.0455 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6897 -5.6638 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 -2.7577 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0989 -3.5898 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2836 -4.0217 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0331 -3.2760 2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6351 -1.8175 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8559 -1.7128 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3578 -0.8549 0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5348 -0.7822 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2956 0.6085 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5477 0.7198 1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 2.6777 0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2608 1.6644 2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1384 1.5909 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0653 0.6862 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2919 3.7300 0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2686 2.6928 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 3.5440 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 2.7696 -0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7654 1.7589 -1.4733 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 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 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 1 25 99 1 0 25100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 34105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 36113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 56148 1 0 M CHG 2 29 -1 33 1 M END