Mol:FL5FFAGS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -3.7978 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7978 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0834 -1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3689 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3689 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0834 -0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 -1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 -0.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 -2.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 -0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6877 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4159 -0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4159 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6877 1.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0834 -2.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1952 1.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 -2.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6513 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0834 0.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9104 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3807 1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0098 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 1.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4264 1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2178 2.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3019 2.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4724 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 1.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9587 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6807 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3692 2.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3019 1.5997 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 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 6 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 33 19 1 0 0 0 0 22 26 1 0 0 0 0 S SKP 5 ID FL5FFAGS0016 FORMULA C25H26O15 EXACTMASS 566.127170162 AVERAGEMASS 566.46494 SMILES c(OC(C5O)OCC(O)C5O)(c4)ccc(c4)C(=C3O)Oc(c(C3=O)2)c(c(O)cc2O)OC(O1)C(O)C(O)C(O)C1 M END