Mol:FL5FAGGS0027
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 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.2969 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2969 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5823 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5823 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5823 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5823 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2969 2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2969 2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0113 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0113 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0113 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0113 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8678 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8678 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1534 1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1534 1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5610 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5610 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5610 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5610 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1534 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1534 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8678 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8678 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2756 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2756 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9899 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9899 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9899 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9899 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2756 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2756 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1534 -1.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1534 -1.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7044 1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7044 1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5823 -0.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5823 -0.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2756 -1.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2756 -1.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7257 2.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7257 2.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2969 3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2969 3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6892 0.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6892 0.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0958 -1.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0958 -1.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3169 -2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3169 -2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4766 -2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4766 -2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2749 -2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2749 -2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6877 -1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6877 -1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8941 -1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8941 -1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2716 -2.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2716 -2.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0188 -2.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0188 -2.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0001 -2.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0001 -2.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6594 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6594 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7257 -1.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7257 -1.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0417 -2.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0417 -2.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0417 -3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0417 -3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4320 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4320 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6565 -2.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6565 -2.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6565 -3.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6565 -3.0753 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 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 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 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0027 | + | ID FL5FAGGS0027 |
| − | FORMULA C24H22O15 | + | FORMULA C24H22O15 |
| − | EXACTMASS 550.095870034 | + | EXACTMASS 550.095870034 |
| − | AVERAGEMASS 550.42248 | + | AVERAGEMASS 550.42248 |
| − | SMILES Oc(c31)cc(cc1OC(c(c4)cc(c(c(O)4)O)O)=C(C3=O)OC(C2O)OC(C)C(C2O)OC(=O)CC(O)=O)O | + | SMILES Oc(c31)cc(cc1OC(c(c4)cc(c(c(O)4)O)O)=C(C3=O)OC(C2O)OC(C)C(C2O)OC(=O)CC(O)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
2.2969 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5823 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5823 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2969 2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0113 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0113 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8678 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8678 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2756 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9899 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9899 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2756 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 -1.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7044 1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5823 -0.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2756 -1.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7257 2.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2969 3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6892 0.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0958 -1.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3169 -2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 -2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2749 -2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6877 -1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8941 -1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2716 -2.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0188 -2.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0001 -2.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6594 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7257 -1.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0417 -2.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0417 -3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4320 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6565 -2.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6565 -3.0753 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
6 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
25 32 1 0 0 0 0
24 33 1 0 0 0 0
28 19 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
32 38 1 0 0 0 0
S SKP 5
ID FL5FAGGS0027
FORMULA C24H22O15
EXACTMASS 550.095870034
AVERAGEMASS 550.42248
SMILES Oc(c31)cc(cc1OC(c(c4)cc(c(c(O)4)O)O)=C(C3=O)OC(C2O)OC(C)C(C2O)OC(=O)CC(O)=O)O
M END
