Mol:FL63ACGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.7127 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2838 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2838 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5693 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5693 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 2.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 2.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4272 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 -0.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 -1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 -1.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3821 -1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0229 -1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 -1.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -0.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8093 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4272 -1.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 3.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3701 -3.3129 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 6 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 6 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 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 25 29 1 0 0 0 0 22 19 1 0 0 0 0 24 23 1 1 0 0 0 15 30 1 0 0 0 0 31 32 1 0 0 0 0 24 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 CH2OH M SBV 1 35 -0.7029 0.4058 S SKP 5 ID FL63ACGS0002 FORMULA C21H24O11 EXACTMASS 452.13186161 AVERAGEMASS 452.40866 SMILES C(C1OC(C(c(c4)cc(c(O)c4)O)3)Cc(c2O3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO M END
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