HMDB0264617 RDKit 3D PA(20:3(5Z,11Z,14Z)-O(8,9)/20:0) 130130 0 0 0 0 0 0 0 0999 V2000 15.5537 1.2152 -1.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2877 1.8418 -1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9370 1.1431 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7320 1.7212 0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5011 1.5932 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3928 2.1736 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3280 1.5504 0.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0711 0.1272 0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7954 0.0930 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7179 -0.5583 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -1.3417 1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4278 -2.7876 1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3786 -3.4532 0.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9183 -3.5574 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4312 -3.3632 -1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2412 -2.7714 -2.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9101 -1.7674 -2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 -1.0351 -2.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6846 0.4380 -2.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 0.9591 -2.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6176 0.2375 -1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5622 -0.4289 -1.7042 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 0.2962 -0.3633 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 -0.2924 0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 0.0837 1.4330 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3800 -0.8767 2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 -0.6023 3.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0909 -1.6935 4.6416 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8378 -2.9771 4.2987 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 -0.9546 6.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -2.1049 4.9229 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -0.1555 0.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 0.8525 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 1.9340 1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 0.6085 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 -0.2544 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 0.2710 1.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9435 1.5282 1.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1716 1.9957 1.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4061 2.2080 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3942 1.2080 -1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3344 0.1222 -1.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6035 -0.9722 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0783 -0.8849 0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3326 -0.2397 1.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6212 -0.7280 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9558 -0.5623 -0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1001 0.8897 -1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2364 1.5559 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5485 0.8767 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9722 0.8671 -1.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3121 0.1491 -2.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1751 -1.2807 -1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4587 1.2846 -2.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5782 0.1655 -1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4256 1.8064 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4298 2.9116 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4468 1.7184 -1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7878 1.2546 0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8126 0.0346 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8692 2.8235 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4541 1.2920 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7156 2.2414 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4197 0.5981 -0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5208 3.2413 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5677 2.0762 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1358 -0.4709 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8967 -0.3172 -0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7682 0.6694 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7921 -0.5405 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 -0.9871 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5676 -1.0985 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 -3.3408 2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5996 -4.6477 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1253 -4.3941 -1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4001 -2.8842 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 -3.1969 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6779 -1.4597 -3.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8443 -1.5166 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2134 -1.1963 -4.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 0.8618 -3.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 0.8856 -1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 2.0490 -2.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 0.6558 -3.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9439 -1.4310 0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6424 -0.0382 1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6004 1.1134 1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -1.9089 2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 -0.7171 3.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0233 -0.7973 6.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -3.0420 4.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4327 0.0589 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 1.5569 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4808 -0.6460 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 -1.2278 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9427 -0.5812 2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4341 0.1916 2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1702 2.3931 1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1111 1.6619 2.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3464 3.1147 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0927 1.5609 1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7223 3.1228 -0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4227 2.8346 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6456 1.8692 -2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3343 0.9335 -1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0429 -0.4350 -2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3190 0.5822 -1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1649 -1.8201 -1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5818 -1.5536 -0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2245 -0.6688 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2555 -2.0134 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3176 0.8810 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3901 -0.3476 2.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7016 -1.8442 1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4574 -0.3202 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2802 -1.0351 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9687 -1.0194 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3812 0.8978 -2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2172 1.5027 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0460 1.6419 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3257 2.5839 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6490 -0.1216 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3218 1.5139 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2682 0.3306 -2.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1160 1.8865 -2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7081 0.1779 -3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0321 0.6879 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9384 -1.9472 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1643 -1.6699 -1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2500 -1.3281 -0.4473 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 14 12 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 0 24 86 1 0 25 87 1 1 26 88 1 0 26 89 1 0 30 90 1 0 31 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 53130 1 0 M END