Mol:FL3FAAGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -0.3935 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9548 -0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9548 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6291 -0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 -0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6291 0.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9769 0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6914 0.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4058 0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4058 1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6914 2.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9769 1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -1.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 0.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1197 2.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6291 -1.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4207 0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9031 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9405 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4579 0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0072 -0.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1197 0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5269 0.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 -0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0741 -0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 -1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -1.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 -1.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -2.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1882 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1882 1.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 -0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8438 -0.8148 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 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 3 17 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 7 20 2 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 24 18 1 0 0 0 0 23 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 30 34 1 1 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 37 38 1 0 0 0 0 26 37 1 0 0 0 0 39 40 1 0 0 0 0 33 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 37 38 M SBL 1 1 42 M SMT 1 ^ CH2OH M SBV 1 42 0.7303 -0.4416 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 39 40 M SBL 2 1 44 M SMT 2 CH2OH M SBV 2 44 0.0000 -0.6201 S SKP 5 ID FL3FAAGS0002 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES c(c13)c(OC(O4)C(OC(O5)C(O)C(O)(C5)CO)C(O)C(C(CO)4)O)cc(c(C(C=C(O3)c(c2)ccc(c2)O)=O)1)O M END
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