HMDB0113004 RDKit 3D PE-NMe(14:1(9Z)/20:2(11Z,14Z)) 124123 0 0 0 0 0 0 0 0999 V2000 1.7114 3.6344 -2.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 4.8797 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 5.2628 -1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1811 6.5237 -0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5908 6.9018 -0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3324 6.9717 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9075 6.6890 1.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 5.5678 2.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 5.0749 3.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 4.4132 4.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 5.1217 4.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9649 4.3077 4.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2672 2.9891 4.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 2.9812 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 4.0049 2.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 1.7644 2.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 1.7370 0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 0.3483 0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 0.4010 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -0.8988 -1.3938 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2133 -0.9913 -2.9730 P 0 0 0 0 0 5 0 0 0 0 0 0 5.3746 -0.0145 -3.1988 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7754 -2.5738 -3.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0669 -0.6258 -4.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 -1.7271 -4.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6173 -1.3088 -5.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -0.6522 -5.2479 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9113 0.6367 -4.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 -0.2169 1.2629 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9953 -1.4291 1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9694 -2.1326 1.8288 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -1.9597 2.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1018 -3.3570 3.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 -3.6320 4.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0253 -5.1191 4.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5828 -5.9456 3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.6304 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6286 -6.3278 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -6.0636 1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 -4.6343 1.3867 C 0 0 0 0 0 0 0 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96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END