Mol:FL2FABGM0003
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 |
| − | 0.3133 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3133 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0259 0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0259 0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3164 -1.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3164 -1.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0332 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0332 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7457 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7457 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7421 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7421 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4620 -1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4620 -1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1747 -0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1747 -0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1710 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1710 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4547 0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4547 0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8248 0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8248 0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5408 -0.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5408 -0.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2537 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2537 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2505 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2505 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5345 1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5345 1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8216 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8216 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4631 -2.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4631 -2.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3122 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3122 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0332 -2.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0332 -2.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3807 -1.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3807 -1.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0259 0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0259 0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1985 0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1985 0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7859 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7859 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9875 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9875 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1940 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1940 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6066 0.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6066 0.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4050 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4050 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7227 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7227 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3553 1.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3553 1.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7293 0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7293 0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2503 -0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2503 -0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7043 -0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7043 -0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8374 1.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8374 1.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4409 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4409 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0663 1.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0663 1.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6538 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6538 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8557 1.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8557 1.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0624 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0624 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4749 1.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4749 1.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2730 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2730 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9105 2.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9105 2.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.4409 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4409 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0216 0.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0216 0.4144 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 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 |
| − | 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 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 14 33 1 0 0 0 0 | + | 14 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 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 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 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 29 1 0 0 0 0 | + | 38 29 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FABGM0003 | + | ID FL2FABGM0003 |
| − | FORMULA C29H36O14 | + | FORMULA C29H36O14 |
| − | EXACTMASS 608.21050586 | + | EXACTMASS 608.21050586 |
| − | AVERAGEMASS 608.5877399999999 | + | AVERAGEMASS 608.5877399999999 |
| − | SMILES OC(C(O)1)C(C(Oc(c5C)c(c(O3)c(c5O)C(=O)CC(c(c4)ccc(OC)c4)3)C)OC1COC(O2)C(O)C(O)C(C2)O)O | + | SMILES OC(C(O)1)C(C(Oc(c5C)c(c(O3)c(c5O)C(=O)CC(c(c4)ccc(OC)c4)3)C)OC1COC(O2)C(O)C(O)C(C2)O)O |
M END | M END | ||
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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
0.3133 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0259 0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3164 -1.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0332 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7457 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7421 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4620 -1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1747 -0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1710 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4547 0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8248 0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5408 -0.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2537 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2505 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5345 1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8216 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 -2.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3122 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0332 -2.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3807 -1.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0259 0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1985 0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7859 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9875 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1940 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6066 0.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4050 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7227 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3553 1.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7293 0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2503 -0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7043 -0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8374 1.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4409 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0663 1.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6538 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8557 1.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0624 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4749 1.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2730 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9105 2.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4409 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0216 0.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
3 20 1 0 0 0 0
2 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
14 33 1 0 0 0 0
33 34 1 0 0 0 0
25 18 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 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 29 1 0 0 0 0
S SKP 5
ID FL2FABGM0003
FORMULA C29H36O14
EXACTMASS 608.21050586
AVERAGEMASS 608.5877399999999
SMILES OC(C(O)1)C(C(Oc(c5C)c(c(O3)c(c5O)C(=O)CC(c(c4)ccc(OC)c4)3)C)OC1COC(O2)C(O)C(O)C(C2)O)O
M END
