Mol:LBF20306CV01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 6.1791 -0.6472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8701 -1.5983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6791 -2.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4881 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1791 -0.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -1.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5913 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9981 1.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4103 1.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8170 2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 3.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 4.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0482 5.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4549 6.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5522 -4.1726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7431 -5.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 -5.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -4.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 -3.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 -4.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 5 1 0 0 0 0 2 6 1 1 0 0 0 1 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 3 21 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 22 1 1 0 0 0 22 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 18 23 2 0 0 0 0 S SKP 5 ID LBF20306CV01 FORMULA C20H28O3 EXACTMASS 316.203844762 AVERAGEMASS 316.43452 SMILES C(CC=CC[C@@H]([C@@H]1CC=C[C@@H](C2)OC(=O)C2)C=CC(=O)1)CCC M END