Mol:LBF18207PG01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 24 0 0 0 0 0 0 0 0999 V2000 2.5878 0.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2788 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -1.0728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8968 -0.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5878 0.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1756 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 -1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -2.0812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2147 -3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 -3.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -4.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3248 -4.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 -5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 2.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 4.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 5.6337 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 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 1 19 1 6 0 0 0 3 20 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 7 21 2 0 0 0 0 4 11 1 1 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 22 1 6 0 0 0 10 23 1 0 0 0 0 10 24 2 0 0 0 0 S SKP 5 ID LBF18207PG01 FORMULA C18H30O6 EXACTMASS 342.204238692 AVERAGEMASS 342.42719999999997 SMILES [C@@H]([C@@H](CC(=O)CCC(O)=O)1)(C=C[C@H](O)CCCCC)[C@H](O)C[C@@H]1O M END