HMDB0263131 RDKit 3D PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/14:1(9Z)) 111110 0 0 0 0 0 0 0 0999 V2000 14.9465 1.7258 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4333 0.4645 -0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5022 -0.6658 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0886 -0.3183 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1585 -1.3919 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1534 -1.1829 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7907 0.0977 1.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3753 0.5360 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3576 0.6764 -0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0561 1.0572 -1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4785 2.3523 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1235 2.7768 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1725 1.8992 1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.7451 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 2.3006 -0.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 0.9794 1.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 0.8138 0.6350 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4286 1.1171 1.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2509 0.8942 0.7437 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 1.5016 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 2.3941 -0.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3839 1.2341 -1.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 0.1533 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -1.1581 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 -2.2492 0.1068 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8330 -1.9148 1.3834 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5256 -2.5599 -0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 -1.9429 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7369 -2.2797 -1.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9179 -1.7550 -1.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3506 -0.7410 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7413 0.4637 -1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9505 0.9531 -1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9706 0.3343 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2034 0.8845 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2938 0.2646 0.3934 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.0498 1.3242 0.8764 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1490 -0.6437 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2586 -1.3121 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2611 -0.4053 0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9366 0.4717 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9295 1.3530 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 -0.6509 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 -1.4379 1.3596 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5654 -3.0789 1.0085 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4995 -3.9099 1.8483 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9892 -3.6494 1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -3.3925 -0.6371 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2120 2.2215 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4814 1.4433 1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7660 2.4609 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4095 0.5616 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4432 0.1922 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6080 -0.7658 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8099 -1.6236 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1223 -0.3368 -1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7878 0.6876 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3094 -2.4155 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5321 -2.0838 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4483 0.9345 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7724 -0.0847 2.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1284 1.4563 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7168 -0.2924 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1074 1.4740 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 -0.2527 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 0.2032 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2363 1.0359 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2455 3.1367 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 2.5427 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9115 3.2092 1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 3.7292 0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5893 0.9388 1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9485 2.4581 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 1.3911 -0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 2.1654 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 0.3908 2.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1582 0.9754 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 2.1666 -1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 0.0094 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 0.5063 0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2719 -1.5063 -1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 -1.1119 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 -3.1444 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 -1.2270 1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3409 -3.2908 -1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8436 -1.2365 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5427 -3.0329 -2.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6458 -2.0859 -2.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1689 -1.2292 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5002 -0.4955 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9914 0.9696 -1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2304 1.8586 -1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8813 -0.5333 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3749 1.7705 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7781 -0.2908 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2088 1.9392 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5896 -0.0955 -1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4863 -1.4540 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8593 -2.0107 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8115 -1.9545 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8793 0.2050 1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0718 -1.0550 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5577 -0.1610 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2414 1.0218 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7665 0.7400 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4018 1.7121 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2647 2.2167 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4549 -0.9154 -0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 -0.8632 -0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 -4.4329 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6344 -2.8708 -0.9648 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 2 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 2 0 14 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 25 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 17 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 17 74 1 6 18 75 1 0 18 76 1 0 22 77 1 0 22 78 1 0 23 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 25 83 1 1 26 84 1 0 27 85 1 0 28 86 1 0 29 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 36 95 1 1 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 47110 1 0 48111 1 0 M END