Mol:FL3FCACS0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 -1.8913 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8913 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -2.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0474 2.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8251 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4952 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4863 0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8913 0.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 1.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 2.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8258 2.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9073 0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -3.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0181 0.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0058 2.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9484 1.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7151 0.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9307 1.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3872 3.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0823 0.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7777 -1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0181 -1.6229 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 12 13 1 1 0 0 0 13 14 1 1 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 6 15 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 22 9 1 0 0 0 0 25 28 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 20 1 0 0 0 0 38 39 1 0 0 0 0 1 38 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 43 M SMT 1 ^ OCH3 M SBV 1 43 0.8864 0.2375 S SKP 5 ID FL3FCACS0008 FORMULA C26H28O13 EXACTMASS 548.152990982 AVERAGEMASS 548.49272 SMILES O=C(c23)C=C(Oc2c(C(O4)C(OC(C5O)OCC(C5O)O)C(C(O)C4)O)c(OC)cc3O)c(c1)ccc(O)c1 M END
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