Mol:FL3FFCGS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -3.1590 -1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 -1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -2.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9464 -1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9464 -1.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 -2.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -1.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 -0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 -2.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 -1.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 -0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 0.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 0.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -2.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6013 -0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 -0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1013 2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4579 1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7899 0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3974 0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 0.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8262 2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8632 1.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 -0.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 0.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 -0.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4033 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5946 -0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3469 0.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 -0.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4883 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8632 -2.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7202 -1.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6983 2.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6393 2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2548 2.9958 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 16 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 6 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 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 21 1 0 0 0 0 32 33 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 32 1 0 0 0 0 32 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 33 31 1 0 0 0 0 31 15 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 35 41 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 27 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 41 42 43 M SBL 1 1 47 M SMT 1 COOH M SBV 1 47 -0.8071 0.4370 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 44 45 46 M SBL 2 1 50 M SMT 2 COOH M SBV 2 50 -0.1627 -0.8952 S SKP 5 ID FL3FFCGS0007 FORMULA C27H26O19 EXACTMASS 654.1068286499999 AVERAGEMASS 654.4839400000001 SMILES c(c1O)c(C(=C4)Oc(c3OC(O5)C(O)C(C(C5C(O)=O)O)O)c(C4=O)c(O)cc(O)3)ccc1OC(C(O)2)OC(C(O)=O)C(O)C(O)2 M END
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