Mol:FL5FACGL0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -2.9579 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9579 0.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2567 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5555 0.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5555 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2567 1.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 0.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 1.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 -0.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 2.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6589 1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3439 -0.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2567 -0.8298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 2.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 -1.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -1.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 -3.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5825 -2.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7502 -0.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 -2.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 -3.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8215 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2954 -0.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 -0.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6589 -0.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 3.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -3.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 -3.6347 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 19 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 28 31 1 0 0 0 0 34 39 1 0 0 0 0 16 40 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 ^ CH2OH M SBV 1 46 0.0127 1.0794 S SKP 5 ID FL5FACGL0003 FORMULA C26H28O16 EXACTMASS 596.137734848 AVERAGEMASS 596.49092 SMILES c(c5O)c(c(c(c5)1)C(C(OC(C(OC(C4O)OCC(C4O)O)3)OC(CO)C(C3O)O)=C(c(c2)ccc(O)c2O)O1)=O)O M END
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