Mol:FL5FAAGS0030
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 |
| − | -0.5952 0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5952 0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5952 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5952 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1058 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1058 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8068 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8068 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8068 0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8068 0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1058 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1058 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5078 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5078 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2088 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2088 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2088 0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2088 0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5078 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5078 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5078 -0.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5078 -0.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9096 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9096 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6241 0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6241 0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3385 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3385 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3385 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3385 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6241 2.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6241 2.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9096 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9096 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1058 -0.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1058 -0.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2960 1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2960 1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0527 2.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0527 2.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0120 -0.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0120 -0.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2217 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2217 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6398 0.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6398 0.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8017 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8017 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9930 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9930 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5806 1.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5806 1.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3139 1.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3139 1.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0983 1.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0983 1.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5251 0.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5251 0.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0933 0.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0933 0.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7881 -1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7881 -1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5798 -2.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5798 -2.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3286 -1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3286 -1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5798 -0.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5798 -0.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7881 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7881 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0393 -0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0393 -0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0100 -0.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0100 -0.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9723 -2.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9723 -2.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3887 -3.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3887 -3.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8846 -1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8846 -1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8289 2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8289 2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0527 2.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0527 2.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9576 3.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9576 3.0414 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 |
| − | 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 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 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 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 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 35 21 1 0 0 0 0 | + | 35 21 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 |
| − | 27 41 1 0 0 0 0 | + | 27 41 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 3 41 42 43 | + | M SAL 1 3 41 42 43 |
| − | M SBL 1 1 47 | + | M SBL 1 1 47 |
| − | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
| − | M SBV 1 47 0.5150 -0.9595 | + | M SBV 1 47 0.5150 -0.9595 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0030 | + | ID FL5FAAGS0030 |
| − | FORMULA C27H28O16 | + | FORMULA C27H28O16 |
| − | EXACTMASS 608.137734848 | + | EXACTMASS 608.137734848 |
| − | AVERAGEMASS 608.50162 | + | AVERAGEMASS 608.50162 |
| − | SMILES c(c1)c(ccc1C(=C(OC(C(O)5)OC(C)C(C5O)O)4)Oc(c2C(=O)4)cc(OC(O3)C(C(C(O)C3C(O)=O)O)O)cc2O)O | + | SMILES c(c1)c(ccc1C(=C(OC(C(O)5)OC(C)C(C5O)O)4)Oc(c2C(=O)4)cc(OC(O3)C(C(C(O)C3C(O)=O)O)O)cc2O)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
-0.5952 0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5952 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1058 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8068 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8068 0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1058 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5078 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2088 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2088 0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5078 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5078 -0.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9096 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6241 0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3385 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3385 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6241 2.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9096 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1058 -0.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2960 1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0527 2.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0120 -0.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2217 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6398 0.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8017 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9930 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5806 1.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3139 1.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0983 1.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5251 0.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0933 0.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7881 -1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5798 -2.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3286 -1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5798 -0.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7881 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0393 -0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0100 -0.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9723 -2.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3887 -3.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8846 -1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8289 2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0527 2.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9576 3.0414 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 21 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
27 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 41 42 43
M SBL 1 1 47
M SMT 1 ^ COOH
M SBV 1 47 0.5150 -0.9595
S SKP 5
ID FL5FAAGS0030
FORMULA C27H28O16
EXACTMASS 608.137734848
AVERAGEMASS 608.50162
SMILES c(c1)c(ccc1C(=C(OC(C(O)5)OC(C)C(C5O)O)4)Oc(c2C(=O)4)cc(OC(O3)C(C(C(O)C3C(O)=O)O)O)cc2O)O
M END
