Mol:FL3FAAGS0042
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.5401 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6032 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6032 0.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6032 -1.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 0.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 1.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4477 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8895 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0857 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8736 0.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6948 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 0.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6758 0.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3763 -0.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2288 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9944 1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9607 1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1973 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3726 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -1.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7323 -1.5618 0.0000 C 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 3 4 1 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 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 24 18 1 0 0 0 0 26 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 29 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 S SKP 5 ID FL3FAAGS0042 FORMULA C24H22O12 EXACTMASS 502.111126168 AVERAGEMASS 502.42428 SMILES C(O)(C4O)C(OC(C4OC(C)=O)Oc(c1)cc(c(C(=O)3)c1OC(=C3)c(c2)ccc(c2)O)O)C(=O)OC M END