HMDB0115123 RDKit 3D PA(20:3(5Z,8Z,11Z)/18:0) 125124 0 0 0 0 0 0 0 0999 V2000 -1.2630 2.0150 4.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0196 1.3403 3.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 1.3577 5.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 2.7348 5.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 3.4633 4.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4939 4.8341 4.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5488 4.9880 5.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 4.3976 5.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 2.9433 5.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3655 2.4033 4.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8653 3.0849 2.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2601 2.6264 2.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6126 2.0002 1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6735 1.6806 0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6368 0.1864 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5766 -0.5581 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -0.0190 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 -0.2787 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8952 -1.7572 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 -1.9581 -1.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3969 -0.9581 -2.0384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -3.1860 -1.6494 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1571 -3.2938 -2.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 -4.7081 -2.6190 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3482 -4.8911 -3.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 -4.4450 -4.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -4.5659 -6.3108 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9180 -5.0563 -5.9008 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -5.6025 -7.4327 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -2.9928 -6.9329 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 -5.0894 -1.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5171 -6.1552 -0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 -6.8733 -1.2295 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 -6.6120 0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 -6.9803 0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4404 -6.0452 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8325 -5.2728 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0383 -4.3792 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5343 -3.5825 -0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5835 -2.6909 -1.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -1.6414 -0.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -0.5931 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 0.3446 0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 1.0169 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 1.9644 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 2.6071 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 3.4196 -1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 4.5740 -1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5345 5.5667 -0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 6.1048 -1.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 2.4506 5.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 2.7603 3.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0647 1.2341 4.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 1.8216 3.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 0.2724 3.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 0.7991 5.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 0.8522 4.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 2.6478 6.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 3.3254 5.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 2.8163 3.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0949 3.6348 3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 5.3788 5.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 5.4320 3.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 4.5987 6.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6653 6.1083 5.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4928 4.9842 4.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 4.5718 6.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5872 2.3035 6.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3447 1.2886 4.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9484 4.1956 3.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1694 2.9585 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0200 2.8254 3.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6574 1.6926 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 2.1229 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2147 2.0460 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6037 -0.2800 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -1.6419 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9312 -0.6003 1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 1.0232 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 0.2828 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5502 0.0986 -1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 -2.2716 -0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 -2.2084 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 -2.5487 -2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 -3.1214 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4712 -5.3877 -2.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -5.9365 -3.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 -4.2719 -3.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 -5.3009 -8.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9825 -2.7842 -7.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 -5.7924 1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 -7.4511 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2923 -7.4438 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 -7.9065 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 -6.6433 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -5.3190 1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -4.4939 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 -5.9226 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8505 -5.1102 0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8238 -3.8158 1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4567 -3.0393 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8908 -4.3236 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8103 -3.2361 -2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1817 -2.1539 -2.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2544 -1.0986 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0855 -2.0719 -0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2624 0.0330 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4878 -0.9818 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 -0.2274 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3546 1.0640 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3699 1.6391 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2104 0.2634 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 1.3427 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4259 2.7158 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 3.0979 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 1.7140 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 3.7846 -2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2119 2.7926 -2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1899 4.2445 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7911 5.0977 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1939 6.4515 -0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 5.2417 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 6.1570 -2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 5.4277 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 7.1145 -0.9847 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 1 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 30 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 50125 1 0 M END