HMDB0113186 RDKit 3D PE-NMe(18:2(9Z,12Z)/22:2(13Z,16Z)) 140139 0 0 0 0 0 0 0 0999 V2000 16.8770 5.5393 -1.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0691 4.9388 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1853 3.4445 -0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4224 2.7941 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9562 3.1772 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1851 2.5675 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2114 1.7403 1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6985 1.2536 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8158 -0.2438 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7461 -0.9935 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3899 -0.4822 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5335 -0.9696 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0986 -0.3945 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2735 -0.8205 1.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 -0.5073 1.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3701 0.8929 1.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5328 1.7288 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8022 1.6664 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5316 0.3963 -1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3977 -0.3776 -0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 0.4459 -1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 -0.2786 -0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 0.1662 0.5547 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 -1.3968 -1.0712 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 -1.9805 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9346 -2.1560 -1.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0007 -2.6931 -0.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 -1.9944 0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1272 -0.8291 0.8816 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6751 -2.5019 1.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8272 -2.9358 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5181 -1.9749 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7570 -1.3709 -1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5515 -0.4244 -2.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 0.7379 -1.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8244 1.7289 -2.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9876 1.0743 -2.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2463 1.3701 -2.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8994 2.4690 -2.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 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