HMDB0113578 RDKit 3D PE-NMe(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) 144143 0 0 0 0 0 0 0 0999 V2000 17.3166 3.7196 -1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8061 3.6828 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0995 4.2561 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3253 3.6386 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8912 2.2162 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4959 1.2156 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7794 0.4485 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3066 0.4572 -0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7814 -0.8847 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9343 -1.1315 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3840 -0.0801 1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8527 0.0087 1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 1.1125 2.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9743 1.3525 2.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 0.1562 2.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 0.4801 2.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 0.8898 1.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -0.1074 0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4635 -1.3841 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 -2.4203 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7121 -2.0220 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 -1.7447 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8406 -1.9166 0.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 -1.3302 -2.0998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0978 -1.0532 -2.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8135 -2.2107 -2.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 -3.2305 -1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0234 -2.7101 0.1815 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -3.8414 1.4286 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5742 -4.2556 1.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 -3.0646 2.8749 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8302 -5.1727 1.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0798 -6.2833 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0111 -7.4416 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9058 -7.0804 -0.5837 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8207 -6.0524 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1937 -1.8001 -2.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9799 -2.0336 -3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4109 -2.6407 -4.2486 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 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1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 27101 1 0 27102 1 0 31103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 58144 1 0 M END