HMDB0267426 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)-OH(5S)/i-13:0) 109108 0 0 0 0 0 0 0 0999 V2000 -13.6712 -0.2866 -4.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5829 -0.5769 -2.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7161 -0.6662 -1.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6221 -0.9540 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8190 -1.0593 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8239 -2.1151 0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5582 -1.9156 0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9823 -0.5632 1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0395 -0.3457 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7604 -0.0961 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1521 -0.0127 1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1145 -1.0210 1.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8702 -0.7474 1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4172 0.6007 2.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1262 0.8663 2.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6764 2.2564 2.5386 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9091 2.2456 3.7167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 2.7172 1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 1.8113 1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 2.2417 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 1.3791 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6559 0.4797 0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 1.5289 -0.9057 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5839 0.7738 -1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5065 0.9261 0.1466 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8947 2.4160 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4067 2.7315 -1.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8467 4.3598 -1.1807 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2247 5.0679 -2.3691 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 4.4411 -1.2725 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3655 5.1531 0.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 0.1335 -0.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 -0.9001 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 -1.1749 1.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3221 -1.6041 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 -2.7112 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1377 -2.3160 2.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1599 -1.3023 2.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5496 -1.4422 2.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8012 -1.4930 0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3152 -1.5883 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6408 -1.6423 -0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1607 -0.4284 -1.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5069 -0.5043 -3.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9771 0.7689 -3.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9696 -0.6745 -3.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6467 -0.6730 -3.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5526 0.8238 -4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0321 -0.7502 -5.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0396 -1.5762 -3.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3853 0.1817 -2.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2661 0.3337 -1.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9937 -1.4757 -1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1768 -1.9002 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3385 -0.1394 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5681 -0.0915 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6276 -1.4395 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1869 -3.1465 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8389 -2.7403 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5809 -0.5313 2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7135 0.2682 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4647 -0.4009 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1037 0.0560 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8542 0.0321 2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 1.0126 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3977 -2.0828 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1134 -1.5598 1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0406 1.4474 1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4475 0.0500 2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5756 2.9106 2.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5834 1.3525 3.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 3.7665 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 2.6466 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8897 0.7592 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 1.9375 2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 3.3218 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3041 2.0940 -0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 -0.3145 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1172 1.1922 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9774 0.6570 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 2.9708 0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 2.6438 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8829 4.2107 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7445 4.7471 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0863 -0.8521 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0445 -2.0480 -0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4532 -3.3964 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -3.3687 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1728 -2.1115 3.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4967 -3.2769 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8269 -0.2590 2.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1741 -1.1709 3.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0214 -2.3265 2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1782 -0.5750 2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4409 -0.5543 0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3724 -2.4042 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6267 -2.5454 1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8514 -0.7728 1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1914 -2.5517 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7410 -1.6806 -1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5810 0.4734 -1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -0.3272 -1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9618 -1.3643 -3.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8873 0.6708 -3.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5496 1.0151 -4.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0826 1.5920 -2.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2860 -1.7192 -3.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5927 0.0535 -2.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1353 -0.4619 -4.4487 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 2 0 15 16 1 0 16 17 1 0 16 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 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 16 70 1 1 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 30 83 1 0 31 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 43101 1 0 43102 1 0 44103 1 0 45104 1 0 45105 1 0 45106 1 0 46107 1 0 46108 1 0 46109 1 0 M END