Mol:FL3FACGS0036
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -1.4336 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 -0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7982 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1629 -0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1629 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7982 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 0.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -2.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7431 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3908 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0383 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0383 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3908 1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7431 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 0.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7982 -2.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 1.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3908 2.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8654 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6248 -0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 0.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1796 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4338 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1496 -0.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 -0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9007 0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4338 0.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5351 -0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 -0.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4105 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0416 -0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3546 0.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1329 1.3183 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 30 1 1 0 0 0 35 36 1 0 0 0 0 30 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 34 20 1 0 0 0 0 25 18 1 0 0 0 0 24 40 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 27 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 41 42 43 M SBL 1 1 47 M SMT 1 ^COOH M SBV 1 47 0.3616 -0.4411 S SKP 5 ID FL3FACGS0036 FORMULA C27H28O16 EXACTMASS 608.137734848 AVERAGEMASS 608.50162 SMILES O(c13)C(c(c4)cc(O)c(OC(C5O)OC(C(O)C5O)C)c4)=CC(=O)c(c(cc(c3)OC(O2)C(C(C(O)C2C(O)=O)O)O)O)1 M END
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