Mol:FL5FAGGS0011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -1.3536 0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3536 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 0.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -1.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5164 2.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2071 0.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 -0.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 2.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 0.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6769 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 0.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5136 0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 1.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9331 0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2594 0.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0451 0.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 0.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 -1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 -1.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 -1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 -0.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7256 -1.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8069 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 -2.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 -2.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7246 1.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 2.2913 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 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 14 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 20 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 34 21 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 36 42 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 29 45 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 42 43 44 M SBL 1 1 48 M SMT 1 COOH M SBV 1 48 -0.8277 0.3400 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 45 46 47 M SBL 2 1 51 M SMT 2 ^ COOH M SBV 2 51 0.5439 -0.5923 S SKP 5 ID FL5FAGGS0011 FORMULA C27H26O20 EXACTMASS 670.101743272 AVERAGEMASS 670.48334 SMILES c(c1)(OC(O5)C(C(C(O)C5C(O)=O)O)O)cc(c(C3=O)c1OC(=C3OC(C4O)OC(C(C4O)O)C(O)=O)c(c2)cc(c(c(O)2)O)O)O M END
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