Mol:FL3FAACS0047
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -1.3401 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3401 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6256 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0888 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0888 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6256 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8033 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8033 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8033 -2.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 -0.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6256 -3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3115 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 -1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8172 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8172 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3115 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5697 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8114 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8025 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4184 0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1456 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 0.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1557 -0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1294 -0.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 1.5255 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 1 12 1 0 0 0 0 3 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 14 9 1 0 0 0 0 17 20 1 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 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 6 24 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 29 1 0 0 0 0 39 40 1 0 0 0 0 26 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 -0.5098 -0.5098 S SKP 5 ID FL3FAACS0047 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES OC(C(O)1)C(O)COC(OC(C2O)C(c(c34)c(O)cc(c(C(C=C(c(c5)ccc(O)c5)O4)=O)3)O)OC(C(O)2)CO)1 M END
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