HMDB0288813 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(18R)/2:0) 93 92 0 0 0 0 0 0 0 0999 V2000 -8.2050 -3.0127 -1.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2341 -2.7033 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0011 -1.4796 -0.0357 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3503 -1.6744 -0.4481 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5580 -0.2327 -0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1931 0.3038 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1031 -0.5560 -0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1214 -1.0988 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8536 -0.9870 1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7363 -0.2538 2.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3763 0.7984 2.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0284 1.3981 2.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0705 2.7991 2.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 3.2518 1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 2.3835 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2047 2.4359 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 2.8535 -2.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2064 3.3326 -1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4072 2.4436 -2.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4076 0.9925 -2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2094 0.7862 -1.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7039 1.7516 -0.6127 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2933 -0.4397 -0.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8675 -0.6627 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3027 -0.3191 0.8073 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2276 -1.1172 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5518 -0.8152 0.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6107 -1.6647 -0.8330 P 0 0 0 0 0 5 0 0 0 0 0 0 5.0882 -1.9107 -2.2315 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8793 -3.1855 -0.1387 O 0 0 0 0 0 1 0 0 0 0 0 0 7.1156 -0.9060 -0.9798 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 -0.7869 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0831 -0.1149 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0348 -0.7841 -0.6720 N 0 0 0 0 0 4 0 0 0 0 0 0 9.5630 -0.7656 -2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4085 -2.0896 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2526 0.0423 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -0.6397 2.1559 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1666 0.2765 3.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 -0.0392 4.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 1.4639 2.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7448 -2.2582 -2.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5633 -4.0398 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1489 -2.9976 -2.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2371 -2.7428 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7747 -3.5954 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9783 -1.3674 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8816 -0.8906 -0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7184 -0.3471 -1.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3205 0.5904 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1273 1.2371 -1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0795 0.8232 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0872 -0.8042 -1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 -1.7285 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8477 -2.0671 1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7672 -0.7135 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7980 -0.6035 2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1405 1.2680 3.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7531 1.5217 3.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2376 0.7762 2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6694 3.5308 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5053 4.3043 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 2.7616 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6718 1.3157 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2468 2.0969 -1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 2.8721 -3.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2064 4.3546 -2.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7111 3.4365 -1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6218 2.8801 -2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7777 2.5993 -3.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 0.5654 -2.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 0.4352 -3.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3155 -0.1763 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -1.7662 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 0.7560 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 -0.9290 -1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 -2.2108 0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0931 -0.1178 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -1.7485 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0199 0.9455 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5234 -0.0987 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3982 -0.6199 -2.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8930 0.1267 -2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0520 -1.7169 -2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3621 -2.0532 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6476 -2.5377 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6457 -2.7549 -1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1513 -0.5436 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4161 0.4451 0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1443 0.9115 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4484 -1.1161 4.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9018 0.5832 5.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 0.2564 4.5612 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 3 5 1 0 5 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 1 4 48 1 0 5 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 1 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