HMDB0274563 RDKit 3D PGP(a-17:0/18:3(9,11,15)-OH(13)) 133132 0 0 0 0 0 0 0 0999 V2000 7.4919 -2.3127 9.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 -3.8150 9.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2884 -4.3440 8.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 -5.0644 8.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -5.6566 6.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9519 -5.4251 5.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2079 -5.9361 5.9873 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4305 -6.1263 4.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3232 -5.6247 3.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6881 -6.1845 2.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 -5.6383 2.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 -6.0942 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 -4.9683 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 -5.3962 -1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -4.2861 -2.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 -4.6777 -3.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 -3.5049 -4.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1154 -3.7917 -5.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -4.0329 -4.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -5.1582 -5.0494 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9071 -3.0181 -4.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1456 -3.0248 -3.8134 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1461 -2.0234 -4.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6645 -0.7114 -4.2453 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3531 0.3991 -4.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5163 0.3041 -5.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7449 1.7714 -4.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 2.8597 -4.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1178 4.2318 -4.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1332 5.3056 -4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 6.6686 -4.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 7.0560 -3.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9218 7.0494 -2.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1445 7.5021 -1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9255 7.6002 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5487 6.3542 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 5.2583 1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2605 4.0333 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2243 3.3876 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5014 2.9441 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8524 2.2029 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 1.1836 1.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -2.7977 -2.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 -1.5835 -2.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -1.3199 -0.3857 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5692 -0.7841 0.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 -2.8008 0.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 -0.1678 -0.1156 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.9047 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 0.0349 0.3092 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4114 -0.7600 0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5416 0.7134 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6867 1.4891 -1.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 2.2174 -2.5290 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5620 2.3057 -3.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 3.7761 -2.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 1.2246 -3.4218 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -1.9022 10.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -1.9227 8.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3638 -1.9304 10.2758 H 0 0 0 0 0 0 0 0 0 0 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