HMDB0263273 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)-OH(5S)/16:0) 118117 0 0 0 0 0 0 0 0999 V2000 14.8665 -0.0040 2.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6609 -0.7996 2.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4218 0.0203 2.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5672 1.0864 1.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8837 0.3825 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0430 1.2855 -1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3418 1.2837 -2.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2518 0.4453 -2.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 -0.6661 -1.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5102 -0.7102 -1.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5090 0.3948 -1.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0740 0.8628 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8165 0.8052 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7467 0.3046 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 0.2737 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 -0.2511 -1.1419 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6010 -1.0939 -0.3974 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6606 0.8544 -1.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 1.8441 -0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 1.3309 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 0.7331 -0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 -0.1741 -1.7144 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5814 1.1135 -0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 0.5149 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8336 -0.9564 -1.1775 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7278 -1.5851 -2.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8449 -2.9531 -1.9635 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8911 -3.5238 -3.1933 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9798 -2.5423 -3.4935 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0066 -3.7551 -4.6362 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4712 -5.0171 -2.7058 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2597 -1.1018 0.1357 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6103 -1.6352 1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -2.0613 1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2601 -1.7121 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 -0.3742 3.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 0.7198 2.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3074 0.4436 2.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0208 0.3401 3.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4536 0.0236 3.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4609 0.8781 2.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4342 1.1382 1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4910 -0.0909 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4548 0.2693 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5725 1.1232 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9293 0.4559 -1.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0466 1.3341 -1.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3406 0.5486 -1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4349 0.3060 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4342 -0.4489 3.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6680 1.0356 3.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6176 0.0145 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8958 -1.4273 1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4565 -1.5162 3.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -0.6458 2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2224 0.4850 3.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4356 1.7138 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7002 1.7309 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3733 -0.5592 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9622 0.0319 0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8601 2.0768 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6240 2.0852 -3.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6775 -0.0587 -3.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4234 1.0372 -3.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3646 -1.5694 -1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2168 -1.6293 -0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8413 1.2325 -2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6447 -0.0462 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8687 1.2479 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5694 1.1632 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8635 -0.0660 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 0.6268 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 -0.8824 -1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9589 -1.9994 -0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 0.4622 -2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 1.4306 -2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 2.2691 -0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5786 2.6883 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2753 0.5733 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5323 2.1746 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 0.5545 -2.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 1.1028 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -1.4139 -1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6917 -1.0637 -2.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 -1.4847 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -3.2078 -4.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -5.6256 -2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3037 -2.0479 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6626 -2.4365 3.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -0.1129 3.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4832 -0.4606 4.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3355 0.7730 1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 1.6703 3.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4043 -0.5187 1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 1.2655 1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8167 1.3124 4.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5005 -0.4922 4.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7271 -0.0177 4.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6245 -1.0890 3.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4895 0.4482 3.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4947 1.8484 3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7027 1.8392 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4351 1.6721 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6129 -0.7794 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4438 -0.6364 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4770 -0.6794 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5032 0.7935 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4378 1.2067 -2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5665 2.1519 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9798 -0.4933 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0598 0.1906 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9781 1.5092 -2.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0537 2.3125 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1667 1.1199 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2021 -0.4361 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9857 -0.6829 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8902 1.0662 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5145 0.2863 0.3630 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 45 46 1 0 46 47 1 0 47 48 1 0 48 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 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 6 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 1 26 84 1 0 26 85 1 0 30 86 1 0 31 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 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 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 49118 1 0 M END