HMDB0116704 RDKit 3D PA(20:5(5Z,8Z,11Z,14Z,17Z)/18:0) 121120 0 0 0 0 0 0 0 0999 V2000 9.8467 4.8813 4.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2902 4.0762 2.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6585 2.7349 3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2359 1.5603 2.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1653 1.2073 2.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4472 2.3138 1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4033 2.6409 0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1138 1.9070 -0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2465 1.3746 -1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1595 0.1224 -2.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9599 -0.9272 -1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9457 -1.5330 -2.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9349 -2.8012 -2.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0278 -3.8488 -2.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4343 -4.4647 -3.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 -4.5614 -3.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0769 -4.0744 -3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3026 -3.0737 -4.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 -2.6022 -3.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1462 -1.8886 -2.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2081 -1.4578 -1.6182 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -1.7107 -1.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 -1.0522 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 -1.2236 0.2453 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2342 -2.7672 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0319 -3.1307 0.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 -4.8256 0.6856 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3568 -5.3619 -0.6772 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -5.3839 1.8127 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 -5.3793 1.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5038 -0.6944 -0.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6608 0.0594 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 0.1609 0.9751 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 0.5392 -1.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9513 0.7119 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6175 1.6182 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 1.5358 1.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 0.2165 1.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3027 -0.2135 1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3726 0.7246 2.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7197 0.0927 1.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8339 0.9569 2.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8777 2.3278 1.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9358 2.2267 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0076 1.4683 -0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4214 1.8044 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1146 1.8199 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6104 2.1191 0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2864 1.1019 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7605 1.5066 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8843 4.5064 4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5803 4.7657 4.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 5.9329 3.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2963 4.5882 2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6401 4.2748 2.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5157 2.7139 3.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7300 0.6543 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4087 0.5199 2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 0.4690 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 2.9802 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 3.4970 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 2.7561 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8236 1.2130 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 2.1367 -2.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4622 -0.1601 -3.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4647 -0.5416 -0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1713 -1.7024 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6929 -0.8293 -3.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7364 -3.1400 -3.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3188 -3.6264 -1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6951 -4.6634 -1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2056 -4.8873 -4.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9558 -5.0604 -4.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3315 -3.6971 -2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 -4.9105 -2.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1066 -3.5515 -4.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9533 -2.1879 -4.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3883 -3.5045 -3.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 -1.9529 -4.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 -1.4872 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 0.0534 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 -0.8936 1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 -3.0857 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 -3.2285 -0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9831 -5.3224 1.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7085 -6.3289 0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 1.5552 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -0.0935 -2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4221 0.8825 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3993 -0.3483 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7496 1.5100 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 2.7081 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 2.3446 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 1.8404 1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1964 -0.5718 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 0.2356 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4973 -1.1981 2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4322 -0.3976 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2477 0.8195 3.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3656 1.7087 1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6781 -0.0206 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8179 -0.9004 2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8040 0.4607 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7600 1.1058 3.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9523 2.9181 1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7129 2.8890 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9134 1.8666 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9402 3.2869 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7001 1.3914 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8689 0.3408 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9744 1.0690 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6175 2.8096 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0821 0.8365 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8088 2.6214 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1178 2.1481 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6385 3.1348 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2437 0.0909 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8819 1.0619 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3021 0.7413 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7916 2.4952 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1574 1.5236 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 23 81 1 0 24 82 1 1 25 83 1 0 25 84 1 0 29 85 1 0 30 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 50121 1 0 M END