HMDB0112636 RDKit 3D PS(20:4(5Z,8Z,11Z,14Z)/15:0) 125124 0 0 0 0 0 0 0 0999 V2000 15.4085 2.4021 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4575 3.2279 1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0745 2.6229 1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0711 3.4227 2.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6758 2.7968 1.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1894 2.7782 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8953 1.6750 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0242 0.3565 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9148 -0.5511 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6741 -0.3189 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0419 0.9137 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4277 0.5774 -1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1627 0.6911 -1.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 1.1500 -0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 0.3415 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 -0.9030 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 -1.7306 -1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -2.2906 -2.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0168 -3.2239 -2.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -2.6757 -2.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2124 -3.5468 -2.2054 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4175 -1.3833 -2.1877 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 -0.8013 -1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 -0.8210 -0.4428 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3994 -2.1275 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2544 -2.8240 0.4918 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -4.2987 1.2494 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7604 -4.8211 1.7791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6196 -4.1035 2.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1477 -5.3726 0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 -6.5954 0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 -7.6209 -0.2703 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1555 -7.2419 -0.8308 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -8.9101 0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0605 -9.4626 1.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2662 -9.5371 0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 -0.1734 -0.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7373 1.0484 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 1.5869 0.6799 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 1.7493 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3372 2.0877 -1.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6018 2.8080 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8549 2.0480 -1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9356 0.7259 -1.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0803 -0.1534 -1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4818 -0.6388 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9556 0.3498 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1625 1.1252 0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6871 2.1269 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7275 3.2012 1.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3140 4.1824 2.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5360 4.8904 2.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2359 5.6776 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7994 3.0760 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2323 1.9980 1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8503 1.5900 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4504 4.2955 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8163 3.2145 2.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1421 1.5746 1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7180 2.6772 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3436 3.4708 3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0894 4.4582 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5999 1.9060 2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0040 3.5539 2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0407 3.7308 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5646 1.8055 -1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6242 0.3969 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8342 -0.1928 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2069 -1.5961 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9623 -1.1647 0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2534 1.1404 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6026 1.8182 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 0.2124 -2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 0.3971 -2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6247 1.6584 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 2.1389 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 0.8360 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 -1.3473 -0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7144 -1.5571 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6453 -2.7486 -0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0306 -1.5026 -3.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 -2.8520 -3.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2075 -4.0896 -2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 -3.7814 -3.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -1.2316 -2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 0.3072 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 -0.1275 0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0672 -2.7869 -0.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 -1.9786 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5539 -4.1629 2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 -6.5024 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3455 -6.9662 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -7.7802 -1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7005 -8.0863 -1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9632 -6.6939 -1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9067 -9.3273 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8474 1.0122 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0197 2.6083 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 2.7421 -1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2315 1.1351 -1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5954 3.7588 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7013 2.9402 -2.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7045 2.7171 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6933 1.9687 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9854 0.1732 -1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8465 0.9051 -2.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0043 0.3082 -2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9075 -1.0704 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3331 -1.3972 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6703 -1.2489 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3730 -0.2885 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2212 1.0145 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9006 1.6704 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9483 0.3884 -0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6401 2.5297 0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0115 1.5646 2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3196 3.7076 0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8676 2.7147 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6492 3.6101 3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5481 4.9283 2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8638 5.6186 2.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3818 4.1899 1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2312 6.1042 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2987 4.9902 -0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9510 6.4880 0.5744 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 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 32 34 1 0 34 35 2 0 34 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 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 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 23 85 1 0 23 86 1 0 24 87 1 1 25 88 1 0 25 89 1 0 29 90 1 0 31 91 1 0 31 92 1 0 32 93 1 6 33 94 1 0 33 95 1 0 36 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 53125 1 0 M END