Mol:FL3FEAGS0035
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0401 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0401 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0401 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0401 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3997 -2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3997 -2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2405 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2405 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2405 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2405 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3997 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3997 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8808 -2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8808 -2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5212 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5212 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5212 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5212 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8808 -1.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8808 -1.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8989 -3.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8989 -3.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1611 -1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1611 -1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8138 -1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8138 -1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4664 -1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4664 -1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4664 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4664 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8138 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8138 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1611 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1611 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3997 -3.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3997 -3.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6949 -0.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6949 -0.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4999 -0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4999 -0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1342 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1342 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2349 -0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2349 -0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4466 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4466 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8648 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8648 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6781 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6781 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0213 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0213 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1331 -0.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1331 -0.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7580 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7580 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6673 -1.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6673 -1.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8009 0.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8009 0.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3233 2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3233 2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9988 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9988 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8010 1.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8010 1.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0029 0.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0029 0.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3274 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3274 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5252 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5252 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4799 2.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4799 2.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9989 2.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9989 2.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9209 2.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9209 2.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6401 0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6401 0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2030 2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2030 2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1923 3.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1923 3.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5916 2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5916 2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7311 -2.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7311 -2.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8259 -3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8259 -3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1188 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1188 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1331 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1331 -0.4667 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 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 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
− | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
− | 30 26 1 0 0 0 0 | + | 30 26 1 0 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
− | 34 30 1 0 0 0 0 | + | 34 30 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
− | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
− | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
− | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
− | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
− | 41 39 1 0 0 0 0 | + | 41 39 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 2 44 1 0 0 0 0 | + | 2 44 1 0 0 0 0 |
− | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
− | 15 46 1 0 0 0 0 | + | 15 46 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 44 45 | + | M SAL 1 2 44 45 |
− | M SBL 1 1 49 | + | M SBL 1 1 49 |
− | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
− | M SBV 1 49 0.6910 0.2660 | + | M SBV 1 49 0.6910 0.2660 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 46 47 | + | M SAL 2 2 46 47 |
− | M SBL 2 1 51 | + | M SBL 2 1 51 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 51 -0.6524 -0.3767 | + | M SBV 2 51 -0.6524 -0.3767 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FEAGS0035 | + | ID FL3FEAGS0035 |
− | FORMULA C31H36O16 | + | FORMULA C31H36O16 |
− | EXACTMASS 664.200335104 | + | EXACTMASS 664.200335104 |
− | AVERAGEMASS 664.60794 | + | AVERAGEMASS 664.60794 |
− | SMILES c(c41)(OC(c(c5)ccc(OC)c5)=CC4=O)cc(OC(C(O)3)OC(C(O)C3O)COC(C(O)2)OC(C)C(O)C(OC(C)=O)2)c(OC)c(O)1 | + | SMILES c(c41)(OC(c(c5)ccc(OC)c5)=CC4=O)cc(OC(C(O)3)OC(C(O)C3O)COC(C(O)2)OC(C)C(O)C(OC(C)=O)2)c(OC)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -1.0401 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3997 -2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3997 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8808 -2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8808 -1.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 -3.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 -1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8138 -1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8138 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3997 -3.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6949 -0.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1342 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2349 -0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4466 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8648 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6781 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0213 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1331 -0.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 -1.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8009 0.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3233 2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9988 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 1.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0029 0.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5252 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4799 2.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9989 2.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9209 2.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6401 0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1923 3.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7311 -2.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8259 -3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1188 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1331 -0.4667 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 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 1 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 30 26 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 34 30 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 23 19 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 41 39 1 0 0 0 0 44 45 1 0 0 0 0 2 44 1 0 0 0 0 46 47 1 0 0 0 0 15 46 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 44 45 M SBL 1 1 49 M SMT 1 ^ OCH3 M SBV 1 49 0.6910 0.2660 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 46 47 M SBL 2 1 51 M SMT 2 OCH3 M SBV 2 51 -0.6524 -0.3767 S SKP 5 ID FL3FEAGS0035 FORMULA C31H36O16 EXACTMASS 664.200335104 AVERAGEMASS 664.60794 SMILES c(c41)(OC(c(c5)ccc(OC)c5)=CC4=O)cc(OC(C(O)3)OC(C(O)C3O)COC(C(O)2)OC(C)C(O)C(OC(C)=O)2)c(OC)c(O)1 M END