HMDB0285870 RDKit 3D PC(15:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 134133 0 0 0 0 0 0 0 0999 V2000 -8.4174 2.0964 3.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7166 1.5194 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5085 2.3176 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2909 1.8924 2.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 0.5653 2.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6463 -0.5617 2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7636 -1.6483 1.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0394 -1.7991 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0238 -2.8067 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 -3.7127 1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8337 -3.9121 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8853 -3.6733 3.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6709 -3.2288 3.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9319 -2.8461 2.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3278 -2.3934 2.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -2.2243 3.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -3.2819 3.8359 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -0.9560 3.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -0.6206 2.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0646 0.5187 2.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 1.7296 2.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7277 2.3066 1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 1.4143 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 0.2571 0.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 1.7776 -0.7397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6579 0.7520 -1.2643 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3750 0.4776 -2.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1431 -0.6604 -3.0415 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2627 -1.3013 -4.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 -0.8509 -5.2282 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1286 -2.5480 -4.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 -3.7283 -4.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -3.6336 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -4.7147 -3.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0486 -4.5006 -2.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 -3.2116 -2.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 -3.0860 -1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6997 -1.7960 -2.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 -1.7989 -1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6979 -0.5820 -1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7519 -0.7345 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 0.3989 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7667 0.1405 0.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2073 0.0767 2.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1445 1.1330 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 2.2569 -2.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9368 2.7186 -2.0038 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2946 3.3487 -3.3155 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 1.3761 -1.6616 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.0997 3.8994 -0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8347 4.4821 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0211 5.5027 0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8226 6.1923 0.9199 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.0191 7.6338 0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 5.9474 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 5.7463 2.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9517 1.5065 4.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4846 1.8787 3.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1437 3.1495 3.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4822 1.7865 1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6910 0.4680 2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7062 3.4293 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5092 2.7247 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9464 0.2856 1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1342 0.6681 3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2452 -0.6321 3.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5081 -2.4106 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8716 -2.0208 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 -0.7961 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5852 -2.8359 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -4.4216 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0354 -5.0878 2.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8546 -3.5702 2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -3.9273 4.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 -3.1600 4.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -2.8771 1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -2.2011 1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -2.3276 4.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 -3.0593 4.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.0064 4.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -0.1599 4.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5737 -1.4379 2.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8988 0.5115 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8879 2.5120 2.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 1.5205 3.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 3.3170 1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 2.5752 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6114 -0.2150 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 1.3618 -3.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6835 0.3023 -2.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8852 -2.4472 -5.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 -2.7430 -3.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7202 -4.6903 -4.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7584 -3.6151 -5.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3865 -2.6466 -3.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 -3.6531 -2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 -4.7803 -4.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -5.6854 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5505 -4.4729 -1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 -5.3730 -2.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -3.3750 -3.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 -2.3183 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 -2.9294 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5746 -3.9322 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -1.9432 -3.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 -0.9043 -2.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 -1.6392 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 -2.7342 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1358 -0.5087 -2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0454 0.3131 -1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1877 -1.7300 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2051 -0.6806 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2720 0.4655 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2014 1.3265 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5089 0.9661 0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3036 -0.8268 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1940 -0.9449 2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9048 0.6599 2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2146 0.5446 2.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5317 1.2479 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 0.2948 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 4.8658 -1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 3.6399 -0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 4.9366 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 6.2280 0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0012 7.8236 1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 8.0538 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 7.9833 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8781 6.5291 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6212 4.8820 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2516 6.2345 0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 5.0994 2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 5.1249 2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 6.6170 2.8224 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 2 0 15 16 1 0 16 17 1 0 16 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 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 26 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 1 27 89 1 0 27 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 54126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M CHG 2 49 -1 53 1 M END