Mol:FL3FA9GM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.6379 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6379 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6379 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6379 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3523 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3523 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0668 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0668 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0668 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0668 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3523 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3523 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9234 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9234 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2088 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2088 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4944 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4944 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4944 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4944 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2088 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2088 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9234 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9234 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7799 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7799 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0654 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0654 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0654 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0654 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7799 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7799 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2088 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2088 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3509 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3509 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7799 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7799 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4435 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4435 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4079 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4079 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9954 0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9954 0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1973 0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1973 0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4041 0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4041 0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8165 0.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8165 0.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6147 0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6147 0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6526 -0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6526 -0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7199 0.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7199 0.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0072 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0072 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4440 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4440 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0315 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0315 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2334 0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2334 0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4402 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4402 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8526 0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8526 0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6508 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6508 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7510 -0.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7510 -0.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5423 0.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5423 0.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0668 0.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0668 0.5961 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 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 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FA9GM0001 | + | ID FL3FA9GM0001 |
| − | FORMULA C26H28O12 | + | FORMULA C26H28O12 |
| − | EXACTMASS 532.15807636 | + | EXACTMASS 532.15807636 |
| − | AVERAGEMASS 532.49332 | + | AVERAGEMASS 532.49332 |
| − | SMILES C(C1O)(OC(C5O)OCC(C5O)O)C(O)COC(Oc(c(C)4)cc(c3c4O)OC(=CC3=O)c(c2)cccc2)1 | + | SMILES C(C1O)(OC(C5O)OCC(C5O)O)C(O)COC(Oc(c(C)4)cc(c3c4O)OC(=CC3=O)c(c2)cccc2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 42 0 0 0 0 0 0 0 0999 V2000
4.6379 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6379 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3523 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0668 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0668 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3523 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9234 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2088 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4944 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4944 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2088 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9234 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7799 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0654 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0654 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7799 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2088 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3509 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7799 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4435 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4079 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9954 0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1973 0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4041 0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8165 0.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6147 0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6526 -0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7199 0.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0072 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4440 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0315 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2334 0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4402 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8526 0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6508 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7510 -0.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5423 0.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0668 0.5961 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
16 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
30 38 1 0 0 0 0
18 24 1 0 0 0 0
28 33 1 0 0 0 0
S SKP 5
ID FL3FA9GM0001
FORMULA C26H28O12
EXACTMASS 532.15807636
AVERAGEMASS 532.49332
SMILES C(C1O)(OC(C5O)OCC(C5O)O)C(O)COC(Oc(c(C)4)cc(c3c4O)OC(=CC3=O)c(c2)cccc2)1
M END
