HMDB0113569 RDKit 3D PE-NMe(22:2(13Z,16Z)/18:1(11Z)) 142141 0 0 0 0 0 0 0 0999 V2000 16.9875 0.2037 -3.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9714 -0.9540 -2.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8075 -0.8365 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8965 -2.0275 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7930 -2.0608 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4593 -2.1041 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5648 -1.1693 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7788 -0.0092 1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0419 0.2489 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1515 -0.4555 3.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6334 -1.7631 2.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1135 -1.5719 2.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9188 -0.4942 1.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4273 -0.2417 1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2954 0.8491 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 1.1078 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1116 1.5253 1.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.7798 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 0.5141 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 -0.6294 1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -1.8741 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -1.8023 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 -1.7471 1.2422 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -1.7964 -0.9659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 -1.7630 -1.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4759 -0.5699 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9432 0.7098 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6944 1.8053 -1.1054 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 3.2401 -1.7779 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5096 3.0354 -3.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 4.0094 -0.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5074 4.2473 -1.9426 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2581 3.8464 -3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 4.6845 -3.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3786 4.6456 -2.1256 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 5.2711 -0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8481 -0.7473 -1.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8814 -0.8258 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5915 -0.7343 0.8106 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2913 -1.0115 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