HMDB0116494 RDKit 3D PGP(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 145144 0 0 0 0 0 0 0 0999 V2000 -2.6471 2.7083 13.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7228 1.2643 12.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3062 0.3744 13.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 -0.4631 13.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 -0.5801 12.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -0.2415 13.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 -1.0245 13.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9045 -2.3920 12.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7895 -2.4190 11.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4108 -2.6768 10.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -2.9892 9.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -1.9269 8.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 -2.1736 7.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1475 -3.5109 7.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -3.8611 6.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5589 -4.0747 5.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -3.9822 4.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0505 -2.9213 3.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3139 -3.3199 2.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9496 -2.4941 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 -2.1418 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 -1.1968 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9812 -0.5254 1.5956 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -0.9730 -0.3915 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -0.0257 -0.1273 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9740 1.1086 -1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1818 0.7174 -2.4363 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2272 1.6952 -3.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 2.9024 -3.0254 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 1.4305 -4.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 1.7061 -5.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 1.4029 -7.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 2.1985 -8.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1581 3.6415 -8.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 3.8516 -9.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 4.3555 -9.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7729 4.9189 -8.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 4.4648 -7.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 3.4201 -8.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0968 2.4582 -9.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 1.0558 -8.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0243 0.2997 -8.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 0.6761 -7.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3445 0.3622 -5.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5505 1.0989 -4.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3817 2.5476 -4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 2.8080 -3.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2895 4.2155 -3.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6928 5.0844 -4.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5402 6.4948 -3.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 -0.7073 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.4238 -1.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1777 -2.1651 -0.7917 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3549 -2.2198 0.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3659 -1.1631 -1.4488 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2299 -3.7192 -1.4005 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 -4.2396 -1.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1057 -5.6641 -2.1990 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8294 -6.1375 -2.4491 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9123 -5.4926 -3.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -4.5666 -4.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -4.2518 -5.7023 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9831 -4.4598 -6.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2871 -5.2805 -5.8902 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4586 -2.6259 -5.7207 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7808 3.2337 12.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 2.7401 14.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5635 3.2810 13.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2495 1.1943 11.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 1.0974 12.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9241 0.4119 14.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1004 -1.0764 14.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6969 0.1715 11.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5307 -1.5536 12.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 0.7645 13.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -0.7233 13.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 -3.0572 13.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 -2.7387 12.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8699 -2.2077 11.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -2.6766 9.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 -2.9844 10.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 -3.9996 9.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5043 -0.8707 9.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 -1.2886 7.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 -4.3144 7.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 -3.5275 6.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 -3.9286 7.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 -4.3449 5.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4239 -3.8548 4.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 -4.9495 3.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 -1.9444 3.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 -2.9176 2.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -3.4675 3.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2423 -4.3894 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8693 -3.0338 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 -1.5194 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 -1.7386 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7937 -3.1232 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 0.4677 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0235 1.6968 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 1.8676 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 2.0959 -5.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 0.3890 -4.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 2.7680 -5.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6491 1.0797 -5.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 0.3555 -7.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 1.7974 -9.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1002 3.9331 -7.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 4.1740 -8.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4214 3.4698 -10.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4905 4.4042 -10.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 4.9713 -7.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 6.0588 -8.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7882 5.1040 -7.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8187 3.2477 -8.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 2.3557 -9.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4331 2.6253 -10.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4627 0.6879 -9.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3794 -0.7425 -7.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 0.0286 -7.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5734 1.7113 -7.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5473 -0.7433 -5.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 0.5938 -3.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3057 3.1146 -4.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 2.9157 -5.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0712 2.3167 -2.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5296 2.2920 -3.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2364 4.7113 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 4.2346 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7085 4.7862 -4.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 5.2079 -4.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5401 6.7710 -3.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8136 6.4582 -2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 7.1579 -4.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 0.0263 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -1.4014 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 -1.4000 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3373 -4.3176 -0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4657 -3.5853 -2.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6453 -6.2775 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 -5.4219 -2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8874 -5.0419 -3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9785 -6.4407 -4.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9842 -4.9808 -5.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6937 -2.4051 -4.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 21 22 1 0 22 23 2 0 22 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 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 62 64 1 0 62 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 1 26100 1 0 26101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 55137 1 0 57138 1 0 57139 1 0 58140 1 1 59141 1 0 60142 1 0 60143 1 0 64144 1 0 65145 1 0 M END