Mol:FL5FFAGS0014
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -0.6861 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6861 -1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7229 -1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7229 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 -0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 -1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 -0.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 -2.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7371 -0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7371 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8453 -1.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3763 -0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 0.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2241 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5049 1.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3106 1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8922 2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 1.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8058 1.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 2.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4634 2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6386 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 1.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7631 0.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6334 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8402 -0.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0422 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6296 -0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4229 -0.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -1.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 -0.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9514 -0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0408 -1.4887 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 6 22 1 0 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 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 25 32 1 0 0 0 0 24 22 1 0 0 0 0 31 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 36 40 1 0 0 0 0 35 41 1 0 0 0 0 34 42 1 0 0 0 0 37 43 1 0 0 0 0 38 33 1 0 0 0 0 S SKP 5 ID FL5FFAGS0014 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(O1)(c3OC(O4)C(O)C(O)C(C4COC(O5)C(C(O)C(O)C5C)O)O)c(c(cc(O)3)O)C(C(=C1c(c2)ccc(O)c2)O)=O M END
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