Mol:FL3FECGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.2068 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 -2.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6447 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 -2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9446 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1432 -1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8756 -0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6847 -0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6944 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6447 -0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0405 -1.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1821 -1.5210 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 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 2 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 26 21 1 0 0 0 0 S SKP 5 ID FL3FECGS0008 FORMULA C20H18O11 EXACTMASS 434.084911418 AVERAGEMASS 434.35032 SMILES C(O1)(Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)C(O)C(C(O)C1)O M END