HMDB0263128 RDKit 3D PA(14:1(9Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 110109 0 0 0 0 0 0 0 0999 V2000 11.5139 -5.0823 1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8571 -3.6473 1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6986 -2.7979 1.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 -1.7953 2.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8592 -1.4188 3.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3485 -0.0366 3.0844 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4887 0.2553 3.8546 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 0.9451 3.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3357 1.1970 2.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3033 2.1697 2.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3268 2.4370 1.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 3.3867 2.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3477 3.5796 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 2.8452 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4377 3.0615 -0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 4.0314 -0.8837 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0847 4.4365 -2.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 3.3429 -0.2805 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8333 2.1583 -0.9482 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9355 4.2621 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 4.7537 -1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9929 3.6780 -2.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2071 2.9998 -1.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 3.4854 -0.9642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6753 1.8464 -2.5603 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.2920 -1.9679 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4992 -0.0709 -1.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6626 -0.5492 -0.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 -1.7269 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7636 -2.4778 0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0577 -2.0829 0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1516 -1.2247 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 -1.4220 -1.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9169 -2.8147 -1.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2160 -3.1514 -1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2788 -2.1528 -1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6270 -2.4429 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6113 -1.4307 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3025 -0.6396 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1463 -0.6993 1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4618 -1.0494 1.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2965 -1.1305 3.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3139 -2.1752 3.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8223 1.1224 -3.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 0.2475 -4.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1741 -0.0426 -5.4274 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8284 0.8792 -6.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 -1.6432 -5.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 0.1516 -5.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0106 -5.1494 2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4130 -5.7302 1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7981 -5.4426 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9454 -3.6526 0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8238 -3.3095 1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7706 -3.0338 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7592 -1.1974 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4956 -1.3412 4.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6530 -2.1659 3.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7072 0.0360 2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8855 1.1186 3.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2939 1.4747 4.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3562 0.6657 1.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2965 2.7075 3.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4049 1.8530 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2719 3.9381 3.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5454 4.3162 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1031 2.0884 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 2.4743 -1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6182 4.9347 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 4.3834 -2.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3883 3.0824 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 1.4775 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 3.7254 0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 5.1374 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 5.5074 -2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5151 5.3313 -1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6463 4.1782 -3.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 2.9411 -2.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 1.9264 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 -0.7629 -2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7158 0.1192 -0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2404 -3.1725 0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -1.8071 1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0658 -1.2375 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7801 -0.1597 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0887 -0.6386 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4534 -1.3205 -1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1298 -3.5673 -1.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1472 -2.7854 -2.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5237 -4.1499 -1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0999 -3.2246 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4169 -2.0641 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9148 -1.1608 -1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4842 -2.6133 0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9711 -3.4246 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7892 -1.3245 -2.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0015 0.0722 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9530 0.3750 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3071 -1.2800 1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8888 -1.9951 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2135 -0.2739 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2543 -1.2677 3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8950 -0.1459 3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3634 -1.7339 4.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7661 -2.7982 4.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1261 -2.8362 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7723 0.7458 -2.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9722 2.1363 -3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -1.8144 -5.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3149 -0.3871 -5.7394 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 26 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 6 7 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 16 69 1 1 17 70 1 0 18 71 1 1 19 72 1 0 20 73 1 0 20 74 1 0 21 75 1 0 21 76 1 0 22 77 1 0 22 78 1 0 26 79 1 1 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 48109 1 0 49110 1 0 M END