HMDB0288815 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(17)/2:0) 93 92 0 0 0 0 0 0 0 0999 V2000 -9.7045 -0.0249 -2.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9140 0.7784 -1.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9988 0.5699 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9384 -0.7368 0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9987 -0.6560 1.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5099 -1.9226 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4816 -3.1506 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5306 -3.9813 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1517 -3.9312 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7151 -2.9371 -0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7865 -2.0504 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0382 -1.9758 0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2349 -0.6479 1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2874 0.2023 1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 -0.0844 1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 0.0245 2.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2065 0.8664 2.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 1.7820 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0879 3.2526 2.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5621 4.1705 1.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9949 4.0393 0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 4.6248 -0.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 3.3608 1.6178 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2916 3.2872 1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 2.6034 -0.1018 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9376 1.1921 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 0.6520 -1.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5338 -0.9094 -1.5157 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7248 -1.0314 -2.8016 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 -1.2604 -0.2307 O 0 0 0 0 0 1 0 0 0 0 0 0 4.7803 -2.0521 -1.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 -1.4710 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1062 -2.4770 -1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3052 -1.7862 -0.5998 N 0 0 0 0 0 4 0 0 0 0 0 0 8.0212 -0.9885 0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 -2.7838 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7334 -0.8740 -1.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8862 2.5793 -0.4559 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3561 3.1832 -1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7806 3.1771 -2.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 3.7561 -2.3265 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6987 -0.4491 -2.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8353 0.6442 -3.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5362 -0.7518 -2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8058 1.8718 -1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9969 0.7001 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9869 0.9668 -0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3159 1.3222 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9179 -0.9463 0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1463 0.1986 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 -1.6748 -0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3879 -2.0522 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4778 -3.3948 0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7679 -4.8890 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4994 -3.9274 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8825 -4.9964 -0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1725 -2.9494 -1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5027 -1.3014 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9546 -2.0266 0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1462 -2.8018 1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2894 -0.3918 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 1.1392 2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7373 -1.1463 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4383 0.5078 0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 -0.6433 3.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2221 0.8448 3.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 1.6726 1.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 1.6098 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7716 3.4284 3.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 3.4964 2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 3.8565 0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3063 5.2314 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 4.3406 1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 2.8108 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9812 3.1620 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 0.5931 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.3339 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7687 -1.0680 -0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3029 -0.6252 -1.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3344 -2.8770 -2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8432 -3.3101 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3940 -1.5808 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 -0.0578 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9617 -0.7304 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9267 -3.8224 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7858 -2.6242 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0674 -2.7185 -1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 -1.1769 -2.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 0.1796 -1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8387 -0.9235 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1165 4.1953 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9761 2.4705 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 2.9117 -1.1706 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 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 23 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 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 1 0 39 41 2 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 9 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 6 26 76 1 0 26 77 1 0 32 78 1 0 32 79 1 0 33 80 1 0 33 81 1 0 35 82 1 0 35 83 1 0 35 84 1 0 36 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 37 90 1 0 40 91 1 0 40 92 1 0 40 93 1 0 M CHG 2 30 -1 34 1 M END