Mol:FL5FCCGS0008
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | 2.1341 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1341 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4198 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4198 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4198 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4198 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1341 3.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1341 3.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8486 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8486 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8486 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8486 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7053 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7053 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0092 1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0092 1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7237 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7237 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7237 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7237 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0092 0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0092 0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7053 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7053 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4381 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4381 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1525 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1525 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1525 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1525 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4381 0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4381 0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0092 -0.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0092 -0.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8670 1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8670 1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4198 0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4198 0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4381 -0.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4381 -0.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5631 3.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5631 3.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1341 3.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1341 3.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5631 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5631 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0166 -1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0166 -1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7988 -1.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7988 -1.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2592 -1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2592 -1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0042 -0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0042 -0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2221 -0.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2221 -0.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7617 -1.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7617 -1.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2942 -1.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2942 -1.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3771 -1.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3771 -1.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0250 -1.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0250 -1.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0035 -2.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0035 -2.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1161 -1.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1161 -1.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8216 -2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8216 -2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8668 -3.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8668 -3.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2615 -3.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2615 -3.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4548 -3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4548 -3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4095 -2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4095 -2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0150 -2.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0150 -2.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8948 -2.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8948 -2.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3871 -3.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3871 -3.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3454 -3.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3454 -3.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCCGS0008 | + | ID FL5FCCGS0008 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(=O)c(c(O)4)c3cc(c4)OC)OC(C(O)1)OC(C(O)C(OC(C(O)2)OCC(O)C2O)1)CO | + | SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(=O)c(c(O)4)c3cc(c4)OC)OC(C(O)1)OC(C(O)C(OC(C(O)2)OCC(O)C2O)1)CO |
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
2.1341 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 3.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8486 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8486 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7053 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0092 1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7237 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7237 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0092 0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7053 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1525 1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1525 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0092 -0.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8670 1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 -0.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5631 3.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 3.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5631 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0166 -1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7988 -1.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2592 -1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0042 -0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2221 -0.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -1.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2942 -1.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3771 -1.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0250 -1.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0035 -2.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1161 -1.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8216 -2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8668 -3.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2615 -3.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4548 -3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4095 -2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 -2.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 -2.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3871 -3.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3454 -3.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 19 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
38 33 1 0 0 0 0
S SKP 5
ID FL5FCCGS0008
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(=O)c(c(O)4)c3cc(c4)OC)OC(C(O)1)OC(C(O)C(OC(C(O)2)OCC(O)C2O)1)CO
M END
