Mol:FL3FACGS0078
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -0.7828 0.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7828 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 -0.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 0.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3606 -0.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 0.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3606 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7895 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 0.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2184 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2184 1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7895 1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3606 -1.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5024 0.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 -1.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 1.9575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9241 0.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2664 1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8538 0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2619 0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6745 1.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4729 1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9241 1.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 0.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4527 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 -1.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 -0.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0058 -0.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 -0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8399 -2.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8728 -1.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 -0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 -0.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 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 11 1 0 0 0 0 7 17 2 0 0 0 0 18 1 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 13 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 18 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 39 43 2 0 0 0 0 39 44 1 0 0 0 0 36 21 1 0 0 0 0 S SKP 5 ID FL3FACGS0078 FORMULA C27H28O17 EXACTMASS 624.1326494699999 AVERAGEMASS 624.50102 SMILES c(c(O)4)(C(=O)1)c(cc(OC(C(O)5)OC(CO)C(O)C5O)c4)OC(c(c2)cc(OC(C3O)OC(C(O)C3O)C(O)=O)c(c2)O)=C1 M END
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