HMDB0113070 RDKit 3D PE-NMe(16:1(9Z)/20:3(5Z,8Z,11Z)) 128127 0 0 0 0 0 0 0 0999 V2000 6.0776 4.2508 2.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 4.0262 4.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 3.9225 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 5.1812 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 5.1072 2.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 4.9265 4.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 4.8477 3.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2067 3.8097 3.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7053 2.6109 4.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 1.3162 3.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 0.6550 3.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 1.3544 2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 1.7100 1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 2.3286 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 3.5889 0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6824 3.4000 1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9781 4.2113 2.2985 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4443 2.2710 1.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5644 1.8981 1.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0311 0.5228 1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3451 0.7395 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2045 1.1817 -0.7253 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2996 1.4654 -2.3583 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.0770 0.4065 -3.1084 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9911 2.9530 -2.7529 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7231 1.4632 -2.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 2.5948 -3.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 2.4676 -4.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 3.6045 -4.9284 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 4.7894 -4.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0528 -0.4221 1.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0413 -1.6376 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1176 -2.0408 2.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7816 -2.4140 2.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5281 -3.2244 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 -3.9255 1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8235 -4.7388 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 -4.4694 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8396 -3.3249 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8613 -2.4601 -1.7537 C 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