HMDB0266532 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)+=O(5)/2:0) 74 73 0 0 0 0 0 0 0 0999 V2000 12.2843 -1.3746 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5370 -0.3270 0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7716 0.5520 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7729 -0.1975 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7447 -0.8770 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7475 -1.6233 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4654 -1.3625 -0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 -0.2563 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 -0.8703 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -0.5492 0.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0913 0.4674 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 -0.1121 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 0.3577 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 1.4435 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9092 1.8005 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 2.8984 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 3.4840 1.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 3.3683 0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6672 2.3046 0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 1.0479 0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5501 0.0332 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1041 -0.8586 -0.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9084 0.0628 0.4811 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8324 -0.8416 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2306 -0.4769 0.3734 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2420 -1.4511 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9388 -2.7655 0.1648 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1514 -3.7399 -0.5319 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.9194 -3.7436 -2.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6664 -3.0636 -0.1895 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0780 -5.2704 0.1467 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6007 0.8116 -0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9425 1.8196 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3118 3.1390 0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9129 1.5353 2.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9864 -2.4091 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3719 -1.2897 0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1788 -1.2156 -1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8251 -0.7548 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2481 0.3536 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4367 1.1501 -0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2102 1.2920 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2463 -0.9139 -1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2394 0.5464 -1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 -1.6866 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3953 -0.2289 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0595 -2.4624 -1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7584 -1.9546 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6439 0.3233 0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4229 0.4534 -0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -1.6315 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0372 -1.0635 1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 1.2248 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 1.0802 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -0.9499 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 -0.1549 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9717 1.9808 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 1.2777 -0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 3.6508 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 4.2875 0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7228 2.6964 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 2.0819 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6965 0.6446 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1624 1.2877 1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6207 -1.8408 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7301 -1.0033 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2497 -0.5734 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3551 -1.3397 -1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2387 -1.2422 0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8124 -2.2016 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4165 -5.2995 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4417 3.8441 0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7294 3.0190 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1030 3.6565 0.8986 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 2 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 1 0 33 35 2 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 13 56 1 0 14 57 1 0 15 58 1 0 18 59 1 0 18 60 1 0 19 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 24 65 1 0 24 66 1 0 25 67 1 1 26 68 1 0 26 69 1 0 30 70 1 0 31 71 1 0 34 72 1 0 34 73 1 0 34 74 1 0 M END