Mol:LBF20307PG01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 24 0 0 0 0 0 0 0 0999 V2000 2.5878 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.1808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5878 1.1318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1756 1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -1.4154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2147 -2.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 -2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -3.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3248 -3.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 -4.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7579 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 3.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 3.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9225 4.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -0.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 4.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 3.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 3 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 1 21 2 0 0 0 0 4 7 1 1 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 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 9 22 1 6 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 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 S SKP 5 ID LBF20307PG01 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C=CC(=O)1)CC M END