Mol:FL7AADGO0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.4588 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4588 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7577 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7577 0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3555 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3555 0.6562 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.0465 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 1.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1196 -0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1597 0.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0554 1.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7577 -1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4781 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 -1.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1887 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 -3.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5383 -3.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -2.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 2.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 3.7046 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 8 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 17 1 0 0 0 0 31 32 1 0 0 0 0 15 31 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 0.0000 -0.6800 S SKP 5 ID FL7AADGS0002 FORMULA C22H23O10 EXACTMASS 447.129121956 AVERAGEMASS 447.41202 SMILES O(c(c1)c(O)ccc1c([o+1]3)c(cc(c(O)4)c3cc(O)c4)OC(O2)C(C(C(O)C2C)O)O)C M END
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