Mol:FL7AAGGL0043
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 49 53 0 0 0 0 0 0 0 0999 V2000 | + | 49 53 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8964 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8964 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8964 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8964 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1819 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1819 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4676 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4676 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4676 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4676 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1819 1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1819 1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2470 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2470 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9614 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9614 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9614 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9614 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2470 1.8770 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.2470 1.8770 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7379 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7379 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4525 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4525 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1669 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1669 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1669 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1669 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4525 3.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4525 3.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7379 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7379 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8071 3.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8071 3.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8199 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8199 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4764 1.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4764 1.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1819 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1819 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4525 3.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4525 3.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8319 1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8319 1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9027 -1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9027 -1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1708 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1708 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3904 -1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3904 -1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1816 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1816 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4498 -0.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4498 -0.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1115 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1115 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9696 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9696 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1939 -1.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1939 -1.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6870 -1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6870 -1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3125 -1.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3125 -1.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1123 -3.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1123 -3.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1163 -3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1163 -3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8319 -2.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8319 -2.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4049 -2.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4049 -2.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4089 -1.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4089 -1.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1245 -1.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1245 -1.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6975 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6975 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1768 -2.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1768 -2.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5894 -2.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5894 -2.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2041 -2.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2041 -2.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0024 -2.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0024 -2.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4151 -2.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4151 -2.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6215 -2.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6215 -2.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9991 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9991 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3326 -3.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3326 -3.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2094 -2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2094 -2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9732 -2.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9732 -2.4233 0.0000 C 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 39 29 1 0 0 0 0 | + | 39 29 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
| − | 43 42 1 1 0 0 0 | + | 43 42 1 1 0 0 0 |
| − | 44 43 1 1 0 0 0 | + | 44 43 1 1 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 40 1 0 0 0 0 | + | 45 40 1 0 0 0 0 |
| − | 43 46 1 0 0 0 0 | + | 43 46 1 0 0 0 0 |
| − | 42 47 1 0 0 0 0 | + | 42 47 1 0 0 0 0 |
| − | 41 48 1 0 0 0 0 | + | 41 48 1 0 0 0 0 |
| − | 40 49 1 0 0 0 0 | + | 40 49 1 0 0 0 0 |
| − | 44 32 1 0 0 0 0 | + | 44 32 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0043 | + | ID FL7AAGGL0043 |
| − | FORMULA C30H33O19 | + | FORMULA C30H33O19 |
| − | EXACTMASS 697.161603874 | + | EXACTMASS 697.161603874 |
| − | AVERAGEMASS 697.57162 | + | AVERAGEMASS 697.57162 |
| − | SMILES c(c(OC(C4OC(O5)C(O)C(O)C(O)C5C)OC(C(C4O)O)COC(=O)CC(O)=O)1)c(c(O)3)c(cc(O)c3)[o+1]c(c(c2)cc(c(c(O)2)O)O)1 | + | SMILES c(c(OC(C4OC(O5)C(O)C(O)C(O)C5C)OC(C(C4O)O)COC(=O)CC(O)=O)1)c(c(O)3)c(cc(O)c3)[o+1]c(c(c2)cc(c(c(O)2)O)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
49 53 0 0 0 0 0 0 0 0999 V2000
-1.8964 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8964 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4676 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4676 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9614 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9614 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 1.8770 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.7379 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4525 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1669 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1669 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4525 3.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7379 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8071 3.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8199 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4764 1.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4525 3.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8319 1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9027 -1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3904 -1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1115 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9696 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1939 -1.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6870 -1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3125 -1.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1123 -3.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1163 -3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8319 -2.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4049 -2.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4089 -1.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1245 -1.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1768 -2.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5894 -2.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2041 -2.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0024 -2.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 -2.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6215 -2.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3326 -3.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2094 -2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9732 -2.4233 0.0000 C 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 29 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
43 46 1 0 0 0 0
42 47 1 0 0 0 0
41 48 1 0 0 0 0
40 49 1 0 0 0 0
44 32 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0043
FORMULA C30H33O19
EXACTMASS 697.161603874
AVERAGEMASS 697.57162
SMILES c(c(OC(C4OC(O5)C(O)C(O)C(O)C5C)OC(C(C4O)O)COC(=O)CC(O)=O)1)c(c(O)3)c(cc(O)c3)[o+1]c(c(c2)cc(c(c(O)2)O)O)1
M END
