HMDB0266484 RDKit 3D PA(20:3(5Z,8Z,14Z)-O(11S,12R)/2:0) 76 76 0 0 0 0 0 0 0 0999 V2000 10.3566 1.2877 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 -0.0101 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 -0.4312 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2314 -0.8651 0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9642 -0.1324 0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3311 0.1032 -0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 -0.4068 -0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 -1.1986 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -0.4575 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0639 0.8088 0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 -0.1670 1.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0738 -0.2693 1.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -1.6503 1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9068 -1.9863 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1471 -1.2016 -0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 0.2282 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 1.0519 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 0.6399 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 1.2247 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8584 0.8545 2.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0028 1.2638 1.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8274 1.9173 0.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2894 0.9309 1.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4404 1.2657 0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4875 0.7230 -0.4311 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8463 1.1341 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8778 0.5918 -0.2213 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3896 1.0107 -0.7934 P 0 0 0 0 0 5 0 0 0 0 0 0 -12.3983 0.8334 0.3214 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8687 0.0618 -2.1057 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4370 2.6284 -1.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4213 -0.6808 -0.4617 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4786 -1.3726 -1.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4214 -2.8523 -1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6926 -0.6463 -1.9118 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1911 2.0358 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8063 1.1978 -2.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6850 1.7678 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6678 -0.8383 -1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0764 0.0775 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2742 -1.2622 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8603 0.3931 1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -1.1952 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9910 -1.9161 0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0890 0.9306 1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2003 -0.5754 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7603 0.6920 -1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6925 -0.1853 -1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6637 -1.5158 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -2.1408 -0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 -0.5194 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2523 -0.5757 2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 0.5524 1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 -0.1108 3.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2257 -2.4754 2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -3.1247 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5142 -1.5622 -1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9344 -1.5746 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 0.6588 -0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 2.1232 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2865 -0.4219 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 1.0891 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 2.3213 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 0.8940 2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9242 1.2892 3.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -0.2597 2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3142 0.8673 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5699 2.3626 0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7242 1.1480 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9539 0.9177 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9115 2.2389 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2028 -0.6040 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0204 2.7796 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3896 -3.1324 -1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6559 -3.3121 -0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 -3.2663 -2.0650 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 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 1 0 33 35 2 0 11 9 1 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 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 24 67 1 0 24 68 1 0 25 69 1 6 26 70 1 0 26 71 1 0 30 72 1 0 31 73 1 0 34 74 1 0 34 75 1 0 34 76 1 0 M END