Mol:FL3FACCS0040
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8335 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8335 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8335 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8335 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0819 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0819 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3304 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3304 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3304 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3304 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0819 0.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0819 0.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4213 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4213 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1729 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1729 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1729 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1729 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4213 0.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4213 0.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4213 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4213 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0819 -1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0819 -1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5849 0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5849 0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9303 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9303 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6448 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6448 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3590 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3590 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3590 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3590 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6448 2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6448 2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9303 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9303 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0734 2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0734 2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6448 2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6448 2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6120 -1.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6120 -1.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4332 -2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4332 -2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0974 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0974 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4901 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4901 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6690 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6690 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0049 -1.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0049 -1.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9477 -2.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9477 -2.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6886 -2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6886 -2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0734 -2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0734 -2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9595 -0.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9595 -0.8824 0.0000 O 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 2 0 0 0 0 | + | 23 29 2 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0040 | + | ID FL3FACCS0040 |
| − | FORMULA C21H18O10 | + | FORMULA C21H18O10 |
| − | EXACTMASS 430.089996796 | + | EXACTMASS 430.089996796 |
| − | AVERAGEMASS 430.36162 | + | AVERAGEMASS 430.36162 |
| − | SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(=O)C2O)O)cc(c(O)1)O | + | SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(=O)C2O)O)cc(c(O)1)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.8335 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8335 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0819 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3304 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3304 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0819 0.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4213 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1729 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1729 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4213 0.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4213 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0819 -1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5849 0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9303 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3590 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3590 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9303 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0734 2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6120 -1.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4332 -2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0974 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4901 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0049 -1.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9477 -2.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6886 -2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0734 -2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9595 -0.8824 0.0000 O 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
3 12 1 0 0 0 0
1 13 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
9 14 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
24 28 1 0 0 0 0
23 29 2 0 0 0 0
22 30 1 0 0 0 0
25 31 1 0 0 0 0
2 26 1 0 0 0 0
S SKP 5
ID FL3FACCS0040
FORMULA C21H18O10
EXACTMASS 430.089996796
AVERAGEMASS 430.36162
SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(=O)C2O)O)cc(c(O)1)O
M END
