Mol:LBF237nnPG03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 29 0 0 0 0 0 0 0 0999 V2000 2.6691 -0.9486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5827 -0.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4781 0.4527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5000 0.6606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.5418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 -3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 3.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 4.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 5.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 6.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6191 7.0418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -5.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -7.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 5.7547 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 5 1 1 0 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 2 7 1 1 0 0 0 6 12 1 0 0 0 0 12 13 2 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 4 25 1 6 0 0 0 3 6 1 6 0 0 0 9 27 1 1 0 0 0 16 17 1 0 0 0 0 17 28 2 0 0 0 0 17 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 1 26 1 6 0 0 0 S SKP 5 ID LBF237nnPG03 FORMULA C23H33NO4 EXACTMASS 387.24095854899997 AVERAGEMASS 387.51246 SMILES C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(N)=O)[C@@H](C[C@H](O)1)O)O M END