Mol:FL3FCACS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8913 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8913 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8913 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8913 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1769 -2.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1769 -2.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4625 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4625 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4625 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4625 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1769 -0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1769 -0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2520 -2.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2520 -2.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9664 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9664 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9664 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9664 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2520 -0.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2520 -0.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2520 -2.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2520 -2.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0474 2.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0474 2.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8251 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8251 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4952 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4952 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4863 0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4863 0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8913 0.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8913 0.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2830 1.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2830 1.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4318 2.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4318 2.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8258 2.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8258 2.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9073 0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9073 0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1769 -3.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1769 -3.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7601 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7601 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5129 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5129 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2657 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2657 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2657 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2657 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5129 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5129 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7601 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7601 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0181 0.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0181 0.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0058 2.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0058 2.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4340 2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4340 2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9484 1.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9484 1.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7151 0.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7151 0.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4277 1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4277 1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9307 1.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9307 1.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3872 3.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3872 3.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7514 2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7514 2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0823 0.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0823 0.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7777 -1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7777 -1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0181 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0181 -1.6229 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 |
| − | 12 13 1 1 0 0 0 | + | 12 13 1 1 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 15 14 1 1 0 0 0 | + | 15 14 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 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 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 20 1 0 0 0 0 | + | 32 20 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 1 38 1 0 0 0 0 | + | 1 38 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 38 39 | + | M SAL 1 2 38 39 |
| − | M SBL 1 1 43 | + | M SBL 1 1 43 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 43 0.8864 0.2375 | + | M SBV 1 43 0.8864 0.2375 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCACS0008 | + | ID FL3FCACS0008 |
| − | FORMULA C26H28O13 | + | FORMULA C26H28O13 |
| − | EXACTMASS 548.152990982 | + | EXACTMASS 548.152990982 |
| − | AVERAGEMASS 548.49272 | + | AVERAGEMASS 548.49272 |
| − | SMILES O=C(c23)C=C(Oc2c(C(O4)C(OC(C5O)OCC(C5O)O)C(C(O)C4)O)c(OC)cc3O)c(c1)ccc(O)c1 | + | SMILES O=C(c23)C=C(Oc2c(C(O4)C(OC(C5O)OCC(C5O)O)C(C(O)C4)O)c(OC)cc3O)c(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-1.8913 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8913 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1769 -2.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4625 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4625 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1769 -0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2520 -2.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9664 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9664 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2520 -0.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2520 -2.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0474 2.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8251 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4952 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4863 0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8913 0.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2830 1.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4318 2.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8258 2.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9073 0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1769 -3.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7601 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5129 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2657 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2657 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5129 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7601 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0181 0.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0058 2.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4340 2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9484 1.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7151 0.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4277 1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9307 1.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3872 3.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7514 2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0823 0.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7777 -1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0181 -1.6229 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
12 13 1 1 0 0 0
13 14 1 1 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
12 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
6 15 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
22 9 1 0 0 0 0
25 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 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 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 20 1 0 0 0 0
38 39 1 0 0 0 0
1 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 ^ OCH3
M SBV 1 43 0.8864 0.2375
S SKP 5
ID FL3FCACS0008
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES O=C(c23)C=C(Oc2c(C(O4)C(OC(C5O)OCC(C5O)O)C(C(O)C4)O)c(OC)cc3O)c(c1)ccc(O)c1
M END
