HMDB0266468 RDKit 3D PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/24:1(15Z)) 142142 0 0 0 0 0 0 0 0999 V2000 -1.2844 7.8236 7.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5329 6.5341 7.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 6.1447 6.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2385 5.0081 5.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7222 3.9246 6.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0504 2.6097 6.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1154 1.5702 6.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 1.4692 5.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 0.2501 5.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4033 -0.7624 4.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 -1.2980 3.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 -1.0033 3.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -0.4971 2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5339 0.6614 2.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 1.6435 3.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 3.0049 3.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5493 3.6510 2.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 3.1315 1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 3.3538 1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5516 2.3771 1.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 0.9248 1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 0.5237 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.9279 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4029 -1.3534 -0.8567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9773 -1.8419 0.6457 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 -3.1960 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5811 -3.7811 -0.7410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7670 -5.3041 -0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 -5.9412 -0.4174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 -7.6104 -0.2609 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4233 -8.3756 -1.4966 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 -7.8502 0.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 -8.2555 1.0285 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 -3.5563 -1.8341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1862 -2.9736 -3.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4046 -2.6221 -3.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 -2.7253 -4.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 -3.4863 -4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9021 -3.2310 -3.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 -4.0714 -3.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2388 -3.9947 -2.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -2.7470 -2.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6486 -2.0513 -3.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8739 -1.3773 -4.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0991 -0.1625 -3.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 0.3547 -5.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 1.6088 -4.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 1.6525 -3.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 3.0903 -3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 3.4783 -5.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 3.8677 -5.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8741 3.9945 -4.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1169 3.1206 -4.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1642 3.4134 -3.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 3.2259 -2.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6343 1.8571 -1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7944 0.9133 -1.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4607 -0.4220 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3208 -0.2964 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 8.4702 8.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2957 7.6101 6.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 8.3955 6.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 5.7873 7.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 6.7978 8.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1063 6.8646 6.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 4.8171 4.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2648 3.7653 5.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 4.1116 6.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 2.6318 7.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.5265 4.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 0.4547 5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -0.2433 6.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 -1.0912 4.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -2.0427 3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 -2.0449 3.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9453 -0.3949 4.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -1.1389 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7616 0.8782 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 1.7591 3.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9045 1.2524 4.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8686 3.6622 3.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 4.7425 2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9447 3.6999 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8856 2.0689 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 4.3955 1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 2.7129 1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6923 0.6547 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7028 0.3351 2.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9018 1.1407 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 0.8114 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8756 -3.5059 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1963 -3.7742 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6106 -3.3758 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3421 -5.4282 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3077 -5.6995 -1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6193 -8.8309 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -7.9172 1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0964 -1.6424 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 -2.9146 -5.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 -4.5966 -4.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3607 -3.2364 -5.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 -3.5581 -2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0559 -2.1710 -3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -5.1502 -3.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 -4.0602 -4.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9822 -4.8050 -2.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9142 -4.3962 -1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 -2.0695 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 -3.0265 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4722 -1.3645 -2.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2692 -2.8538 -3.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 -0.9190 -5.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -2.0464 -5.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4111 -0.3302 -3.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 0.5871 -3.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -0.4397 -5.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 0.3701 -6.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0975 1.8593 -5.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 2.4220 -4.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 1.4189 -2.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 0.9304 -4.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6863 3.1044 -2.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 3.7318 -3.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 3.4398 -6.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 4.1327 -6.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5229 3.9323 -3.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3023 5.0472 -4.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5102 3.4215 -5.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 2.0601 -4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4631 4.5043 -3.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1416 2.8893 -3.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1363 3.9672 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8415 3.5734 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7249 1.3833 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5232 1.9194 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7289 1.2676 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 0.7392 -2.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4232 -0.7068 -1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1261 -1.2365 -1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7265 0.6755 0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9322 -1.1384 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 -0.3648 0.7233 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 8 6 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 6 28 94 1 0 28 95 1 0 32 96 1 0 33 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 59142 1 0 M END