Mol:FL4DAAGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.1821 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1821 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4678 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4678 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7536 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7536 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7536 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7536 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4678 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4678 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1821 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1821 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0393 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0393 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3252 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3252 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3252 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3252 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0393 0.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0393 0.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0393 -2.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0393 -2.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5303 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5303 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1948 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1948 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9198 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9198 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9198 1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9198 1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1948 1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1948 1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5303 1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5303 1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9133 0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9133 0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6830 -1.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6830 -1.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6448 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6448 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4678 -2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4678 -2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7240 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7240 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3115 1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3115 1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1047 1.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1047 1.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9027 1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9027 1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3153 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3153 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5220 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5220 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0843 2.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0843 2.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0356 2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0356 2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9133 1.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9133 1.9466 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DAAGS0008 | + | ID FL4DAAGS0008 |
| − | FORMULA C20H20O10 | + | FORMULA C20H20O10 |
| − | EXACTMASS 420.10564686 | + | EXACTMASS 420.10564686 |
| − | AVERAGEMASS 420.3668 | + | AVERAGEMASS 420.3668 |
| − | SMILES c(c3)(ccc(OC(O4)C(O)C(C(O)C4)O)c3)C(C2O)Oc(c1)c(C2=O)c(cc(O)1)O | + | SMILES c(c3)(ccc(OC(O4)C(O)C(C(O)C4)O)c3)C(C2O)Oc(c1)c(C2=O)c(cc(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/
30 33 0 0 0 0 0 0 0 0999 V2000
-4.1821 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4678 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7536 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7536 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4678 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1821 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0393 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3252 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3252 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0393 0.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0393 -2.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5303 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1948 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9198 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9198 1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1948 1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5303 1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9133 0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6830 -1.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6448 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4678 -2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7240 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3115 1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1047 1.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9027 1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3153 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5220 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0843 2.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0356 2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9133 1.9466 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 0 0 0
12 13 2 0 0 0 0
13 14 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 12 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 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
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 20 1 0 0 0 0
S SKP 5
ID FL4DAAGS0008
FORMULA C20H20O10
EXACTMASS 420.10564686
AVERAGEMASS 420.3668
SMILES c(c3)(ccc(OC(O4)C(O)C(C(O)C4)O)c3)C(C2O)Oc(c1)c(C2=O)c(cc(O)1)O
M END
