Mol:FL3FCACS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 -1.4879 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3698 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3698 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 -0.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 -2.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 2.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1065 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0623 0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 0.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6299 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 2.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4239 0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 -2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9163 -0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9163 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -1.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6785 -2.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3296 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4115 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1537 -1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4215 -2.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 -2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4215 0.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 -0.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 1.0058 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 28 29 1 1 0 0 0 29 30 1 1 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 28 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 2 1 0 0 0 0 25 37 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 0.4587 -0.7947 S SKP 5 ID FL3FCACS0007 FORMULA C26H28O13 EXACTMASS 548.152990982 AVERAGEMASS 548.49272 SMILES C(O1)C(C(C(O)C1c(c3O)c(OC)c(c(O4)c(C(=O)C=C4c(c5)ccc(O)c5)3)C(O2)C(O)C(C(O)C2)O)O)O M END
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