Mol:LBF20406EO01
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000 2.1276 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5567 -0.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 1.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4129 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0136 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8386 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0925 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0639 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5244 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7295 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 1 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 19 23 1 0 20 23 1 0
S SKP 6 ID LBF20506EO01 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(=CCC=CCCCC(O)=O)CC=CCC=CC[C@@H](O1)[C@@H]1CC AUTODRAW FALSE M END
