Mol:FL63AAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -2.9769 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2624 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2624 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8337 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8337 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7255 1.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6913 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2624 -1.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6836 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -0.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1108 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 -0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1422 -0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 -0.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6913 -0.6623 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 22 19 1 0 0 0 0 25 29 1 0 0 0 0 S SKP 5 ID FL63AAGS0001 FORMULA C20H22O9 EXACTMASS 406.126382302 AVERAGEMASS 406.38328 SMILES c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(C(O)C3)O)1)Oc(c2)c(c(cc(O)2)O)C1 M END