Mol:FL3FAACS0010
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.4296 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7298 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7298 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6697 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3695 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3695 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6697 -0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6697 -2.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7298 -2.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9621 -0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9621 1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4364 1.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -0.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 1.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9605 1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 2.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2216 1.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8718 2.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 2.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7995 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5914 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4364 1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5914 2.7505 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 23 30 1 0 0 0 0 22 6 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 5 ID FL3FAACS0010 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES C(=C2)(Oc(c(C(C(O)4)OC(COC(C)=O)C(C(O)4)O)3)c(c(O)cc(O)3)C2=O)c(c1)ccc(c1)O M END
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