HMDB0284637 RDKit 3D PE(18:3(9,11,15)-OH(13)/24:1(15Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -19.6702 -0.3480 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7731 -0.4365 -2.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3460 -0.5101 -1.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9017 -0.4992 -0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4754 -0.5716 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1483 0.6862 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3976 1.7646 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7097 0.7479 1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2258 0.2784 2.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7936 0.3594 2.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2456 -0.0788 3.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7822 0.0065 3.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0561 0.6556 2.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5797 0.8099 3.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8434 -0.4655 3.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9676 -1.4844 2.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1642 -2.7016 2.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6806 -2.4187 2.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1049 -1.9112 1.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1409 -0.6923 1.1385 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -2.7741 0.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 -2.3673 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 -1.4251 -0.6777 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4156 -0.9887 -2.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 0.0428 -1.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0832 0.6843 -3.3638 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6011 0.6190 -3.3926 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4872 -0.1544 -4.7104 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 2.3138 -3.5512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7787 3.1330 -3.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 4.5627 -3.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 4.7700 -4.9541 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -1.8666 -0.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0353 -1.1617 0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 -0.0182 1.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 -1.7144 1.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9779 -0.5620 2.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2585 -0.8543 2.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3657 -1.4886 2.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 -0.9691 0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -0.9121 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7662 -0.3727 -1.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9477 -0.9173 -2.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2659 -0.7573 -1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 0.7189 -1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6357 1.4629 -2.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9908 2.8946 -2.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3666 3.1910 -1.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4249 2.6404 -2.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3214 1.7894 -2.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4362 1.2474 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3363 -0.2830 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4462 -0.7702 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7484 -0.3765 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9345 -0.9510 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2035 -0.5154 1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3083 -0.9599 2.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2677 -2.4386 2.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7074 -0.1434 -1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5750 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23 90 1 1 24 91 1 0 24 92 1 0 28 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 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