Mol:FL3FAACS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.3617 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3617 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6472 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0672 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0672 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6472 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7817 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4962 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4962 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7817 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7817 -1.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6668 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6668 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3947 1.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6472 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7347 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2581 -1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -0.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9092 -0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 -0.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9911 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3947 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0012 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 -1.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0759 0.6066 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 15 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 2 1 0 0 0 0 1 29 1 0 0 0 0 S SKP 5 ID FL3FAACS0002 FORMULA C20H18O9 EXACTMASS 402.095082174 AVERAGEMASS 402.35152 SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)ccc(O)c2)C(O)C1O M END
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