Mol:LBF237nnPG04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 32 0 0 0 0 0 0 0 0999 V2000 2.6691 -1.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5827 -1.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4781 -0.3709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5000 -0.1630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.3655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 -4.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 2.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 3.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 4.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 5.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3622 6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3133 6.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1543 7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 0.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -2.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6191 6.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 4.9310 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 27 1 6 0 0 0 3 6 1 6 0 0 0 9 29 1 1 0 0 0 11 17 1 0 0 0 0 17 18 2 0 0 0 0 18 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 17 1 0 0 0 0 16 23 1 0 0 0 0 1 28 1 6 0 0 0 23 30 1 0 0 0 0 23 31 2 0 0 0 0 30 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 5 ID LBF237nnPG04 FORMULA C26H38O5 EXACTMASS 430.271924326 AVERAGEMASS 430.57692 SMILES [C@@H](C2)(O)[C@@H]([C@H]([C@@H](O)2)CC=CCCCC(=O)OC(C)C)C=C[C@@H](O)CCc(c1)cccc1 M END