Mol:FL5FADGL0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8445 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8445 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8444 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8444 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1296 -0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1296 -0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5852 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5852 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5852 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5852 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1296 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1296 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3000 -0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3000 -0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0147 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0147 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0148 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0148 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3000 0.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3000 0.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3002 -1.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3002 -1.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9150 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9150 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6435 0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6435 0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3720 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3720 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3720 1.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3720 1.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6435 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6435 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9149 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9149 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1295 -1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1295 -1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9706 2.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9706 2.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6982 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6982 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5853 -0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5853 -0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6327 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6327 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8995 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8995 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5631 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5631 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9349 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9349 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6682 -2.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6682 -2.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0045 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0045 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2207 -0.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2207 -0.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7758 -2.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7758 -2.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9222 -2.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9222 -2.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2873 1.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2873 1.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8105 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8105 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1236 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1236 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4609 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4609 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9425 1.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9425 1.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5433 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5433 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9706 1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9706 1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5066 0.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5066 0.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5018 0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5018 0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6378 3.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6378 3.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2050 4.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2050 4.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5647 -3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5647 -3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8391 -4.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8391 -4.2286 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 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 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 |
| − | 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 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 20 1 0 0 0 0 | + | 34 20 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 16 40 1 0 0 0 0 | + | 16 40 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 25 42 1 0 0 0 0 | + | 25 42 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 0.0057 -0.6976 | + | M SBV 1 45 0.0057 -0.6976 |
| − | 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 -0.6299 0.5811 | + | M SBV 2 47 -0.6299 0.5811 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGL0013 | + | ID FL5FADGL0013 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES OC(C(O)5)C(OCC5O)Oc(c1)cc(c(C3=O)c1OC(=C3OC(C(O)4)OC(C(C(O)4)O)CO)c(c2)ccc(c2OC)O)O | + | SMILES OC(C(O)5)C(OCC5O)Oc(c1)cc(c(C3=O)c1OC(=C3OC(C(O)4)OC(C(C(O)4)O)CO)c(c2)ccc(c2OC)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.8445 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8444 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1296 -0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5852 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5852 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1296 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3000 -0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0147 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0148 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3000 0.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3002 -1.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9150 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6435 0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3720 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3720 1.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6435 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9149 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1295 -1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9706 2.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6982 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5853 -0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6327 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8995 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5631 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9349 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6682 -2.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0045 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2207 -0.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7758 -2.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9222 -2.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2873 1.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8105 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1236 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4609 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9425 1.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5433 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9706 1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5066 0.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5018 0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6378 3.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2050 4.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5647 -3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8391 -4.2286 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
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 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
21 23 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
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 20 1 0 0 0 0
40 41 1 0 0 0 0
16 40 1 0 0 0 0
42 43 1 0 0 0 0
25 42 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 0.0057 -0.6976
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 -0.6299 0.5811
S SKP 5
ID FL5FADGL0013
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES OC(C(O)5)C(OCC5O)Oc(c1)cc(c(C3=O)c1OC(=C3OC(C(O)4)OC(C(C(O)4)O)CO)c(c2)ccc(c2OC)O)O
M END
