Mol:FL1CAAGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 42 0 0 0 0 0 0 0 0999 V2000 -1.0009 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0009 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2048 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9381 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8291 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8291 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2048 -0.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 -0.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7358 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2048 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5435 1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 -0.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 -1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 -1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 -1.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4928 -0.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1688 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4997 -1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -1.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 -1.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6343 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6929 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4856 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0131 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2197 0.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8848 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5435 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4317 -1.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 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 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 5 19 1 0 0 0 0 13 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 30 1 1 0 0 0 34 36 1 0 0 0 0 33 37 1 0 0 0 0 35 38 1 0 0 0 0 30 39 1 0 0 0 0 31 27 1 0 0 0 0 24 17 1 0 0 0 0 S SKP 5 ID FL1CAAGS0006 FORMULA C26H30O13 EXACTMASS 550.168641046 AVERAGEMASS 550.5086 SMILES c(OC(O3)C(O)C(O)C(OC(C(O)4)OC(C(O)C4O)C)C3)(c2)c(c(O)cc2O)C(C=Cc(c1)ccc(O)c1)=O M END