Mol:FL5FCCGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9066 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9066 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9066 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9066 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1921 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1921 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4777 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4777 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4777 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4777 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1921 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1921 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7632 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7632 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0487 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0487 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0487 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0487 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7632 1.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7632 1.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7632 -0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7632 -0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7272 1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7272 1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4554 1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4554 1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1834 1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1834 1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1834 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1834 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4554 2.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4554 2.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7272 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7272 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1921 -0.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1921 -0.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9629 2.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9629 2.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7593 -0.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7593 -0.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2595 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2595 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5490 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5490 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7744 -1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7744 -1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5490 -2.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5490 -2.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2595 -2.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2595 -2.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0341 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0341 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1305 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1305 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0630 -1.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0630 -1.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1258 -3.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1258 -3.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8144 0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8144 0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3303 -0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3303 -0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0731 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0731 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7900 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7900 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2691 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2691 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6191 -0.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6191 -0.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8083 -0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8083 -0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2820 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2820 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4554 3.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4554 3.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3303 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3303 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6400 1.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6400 1.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2820 2.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2820 2.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5490 -3.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5490 -3.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7350 -3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7350 -3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9353 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9353 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7905 1.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7905 1.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 16 38 1 0 0 0 0 | + | 16 38 1 0 0 0 0 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 1 40 1 0 0 0 0 | + | 1 40 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 24 42 1 0 0 0 0 | + | 24 42 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 34 44 1 0 0 0 0 | + | 34 44 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 45 0.7334 -0.4234 | + | M SBV 1 45 0.7334 -0.4234 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
| − | M SBL 2 1 47 | + | M SBL 2 1 47 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 47 0.0000 1.2911 | + | M SBV 2 47 0.0000 1.2911 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 44 45 | + | M SAL 3 2 44 45 |
| − | M SBL 3 1 49 | + | M SBL 3 1 49 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SBV 3 49 -0.6662 -0.1502 | + | M SBV 3 49 -0.6662 -0.1502 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCCGS0005 | + | ID FL5FCCGS0005 |
| − | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
| − | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
| − | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
| − | SMILES O(C1OC(C2OC(=C4c(c5)cc(c(c5)O)O)C(c(c(O4)3)c(cc(c3)OC)O)=O)C(C(O)C(CO)O2)O)C(C(C(O)C(O)1)O)CO | + | SMILES O(C1OC(C2OC(=C4c(c5)cc(c(c5)O)O)C(c(c(O4)3)c(cc(c3)OC)O)=O)C(C(O)C(CO)O2)O)C(C(C(O)C(O)1)O)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-2.9066 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9066 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1921 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4777 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4777 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1921 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0487 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0487 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 1.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 -0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7272 1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 2.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7272 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1921 -0.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9629 2.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7593 -0.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2595 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7744 -1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -2.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2595 -2.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0341 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1305 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0630 -1.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1258 -3.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8144 0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3303 -0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7900 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2691 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6191 -0.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8083 -0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2820 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 3.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3303 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6400 1.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2820 2.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -3.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7350 -3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9353 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7905 1.6147 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
21 22 1 0 0 0 0
22 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 23 1 1 0 0 0
22 20 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
32 36 1 0 0 0 0
27 30 1 0 0 0 0
33 37 1 0 0 0 0
16 38 1 0 0 0 0
31 39 1 0 0 0 0
40 41 1 0 0 0 0
1 40 1 0 0 0 0
42 43 1 0 0 0 0
24 42 1 0 0 0 0
44 45 1 0 0 0 0
34 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^ OCH3
M SBV 1 45 0.7334 -0.4234
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 CH2OH
M SBV 2 47 0.0000 1.2911
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 49
M SMT 3 CH2OH
M SBV 3 49 -0.6662 -0.1502
S SKP 5
ID FL5FCCGS0005
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES O(C1OC(C2OC(=C4c(c5)cc(c(c5)O)O)C(c(c(O4)3)c(cc(c3)OC)O)=O)C(C(O)C(CO)O2)O)C(C(C(O)C(O)1)O)CO
M END
