HMDB0009127 RDKit 3D PE(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 121120 0 0 0 0 0 0 0 0999 V2000 -13.8932 3.7966 2.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4316 3.4260 2.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0032 2.5155 1.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5512 2.0334 1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3445 1.1276 0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0104 0.5332 0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7532 -0.7778 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7661 -1.7896 0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0461 -2.7443 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5921 -2.9142 -1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5677 -2.1298 -2.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4486 -2.9801 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1985 -2.8569 -2.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 -1.7872 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5853 -0.9803 -2.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5347 -1.8567 -3.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5725 -1.0548 -3.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 -0.0902 -3.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 0.8246 -3.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 -0.1321 -1.6282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 0.7285 -0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2752 0.5032 -0.9679 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5398 -0.9990 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3966 -1.3594 0.5243 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 -3.0285 0.6367 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5627 -3.7723 0.4661 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -3.3935 2.1423 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8264 -3.3697 -0.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 -4.4212 -1.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4777 -4.6382 -2.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 -3.4245 -3.2788 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1638 1.2415 -0.1911 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1299 2.0262 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 2.0590 -2.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1467 2.8337 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0941 2.7787 1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 1.3882 1.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 0.6446 1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7213 1.2593 1.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 0.6385 2.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4633 -0.6607 3.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2983 -1.7803 2.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2127 -1.8532 1.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7438 -0.8748 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2025 -0.7093 1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8877 0.3819 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 1.6993 1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6248 2.7937 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9906 3.2935 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0331 2.3967 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6287 1.8963 -1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3120 4.4584 3.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4413 2.8568 2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8815 4.3316 1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7837 4.3339 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3523 2.9992 3.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0606 3.0290 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6471 1.5977 1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3836 1.5278 2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9254 2.9435 1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1999 0.4511 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4509 1.8568 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1288 1.1961 0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7004 -1.0797 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5369 -2.4439 1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7648 -1.3477 1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8532 -3.5183 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0356 -3.7868 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2620 -1.2057 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0772 -1.7862 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7790 -3.8255 -3.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5235 -3.6232 -2.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0122 -2.2499 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3165 -1.1001 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -0.1908 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -0.4628 -3.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0018 -2.6439 -3.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 -2.3385 -2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8566 -1.7714 -4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -0.4915 -4.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 1.7640 -0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 0.4588 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5164 0.7089 -2.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -1.5839 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 -1.2620 -1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 -2.9291 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 -5.3598 -0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4704 -4.2841 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1258 -5.4872 -3.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -4.8401 -2.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 -2.9208 -2.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7496 -2.7860 -3.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0064 3.8981 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 2.5168 -0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 3.2104 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 3.4529 1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 0.8258 1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 1.4770 3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 0.6832 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 -0.4380 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 2.2803 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5159 1.2110 2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6118 -0.6063 4.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3821 -1.0249 3.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 -2.7501 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6957 -2.8853 1.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1539 0.0334 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 -1.3494 -0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7706 -1.6618 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9848 0.2126 1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5885 2.0796 2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1706 1.6186 1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1989 2.6066 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9895 3.6964 0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3788 3.6116 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0329 4.2514 -0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3030 1.5928 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9425 3.0778 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 1.0279 -1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 1.6099 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7725 2.7600 -2.2637 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 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 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 0 21 82 1 0 22 83 1 6 23 84 1 0 23 85 1 0 27 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 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 40102 1 0 41103 1 0 41104 1 0 42105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 51121 1 0 M END