Mol:FL5FCFGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -3.0182 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0182 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3171 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3171 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 -2.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 -0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9159 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9159 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 -1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 -1.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 -2.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7615 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7867 -2.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4194 -1.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 -2.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7142 -1.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -2.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4684 0.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0985 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 1.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0985 2.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 1.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 3.1167 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 21 22 1 1 0 0 0 3 28 1 0 0 0 0 29 30 1 0 0 0 0 1 29 1 0 0 0 0 31 32 1 0 0 0 0 15 31 1 0 0 0 0 33 34 1 0 0 0 0 16 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 33 M SMT 1 ^ OCH3 M SBV 1 33 0.4503 -0.7797 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 35 M SMT 2 OCH3 M SBV 2 35 -1.0913 -0.6303 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 33 34 M SBL 3 1 37 M SMT 3 OCH3 M SBV 3 37 -0.3572 -0.7261 S SKP 5 ID FL5FCFGS0001 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES O(c(c4)c(OC)cc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)OC(C(O)1)OCC(C(O)1)O)C M END
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