Mol:FL3FA9GS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9920 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9920 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9920 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9920 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2775 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2775 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4369 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4369 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4369 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4369 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2775 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2775 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1513 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1513 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8658 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8658 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8658 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8658 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1513 0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1513 0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1513 -1.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1513 -1.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5799 0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5799 0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3081 0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3081 0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0363 0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0363 0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0363 1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0363 1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3081 2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3081 2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5799 1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5799 1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7061 0.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7061 0.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2775 -1.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2775 -1.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3282 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3282 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7699 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7699 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9661 -1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9661 -1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0845 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0845 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7541 -1.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7541 -1.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5752 -1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5752 -1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0363 -1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0363 -1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4710 -2.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4710 -2.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4889 -2.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4889 -2.2005 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 3 1 0 0 0 0 | + | 19 3 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FA9GS0007 | + | ID FL3FA9GS0007 |
| − | FORMULA C20H18O8 | + | FORMULA C20H18O8 |
| − | EXACTMASS 386.100167552 | + | EXACTMASS 386.100167552 |
| − | AVERAGEMASS 386.35212 | + | AVERAGEMASS 386.35212 |
| − | SMILES C(O1)(Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cccc2)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cccc2)C(O)C(C(O)C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-0.9920 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9920 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2775 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2775 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1513 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8658 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8658 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1513 0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1513 -1.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5799 0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3081 0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0363 0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0363 1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3081 2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5799 1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 0.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2775 -1.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3282 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7699 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9661 -1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0845 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7541 -1.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5752 -1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0363 -1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4710 -2.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4889 -2.2005 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
9 12 1 0 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
1 18 1 0 0 0 0
19 3 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
S SKP 5
ID FL3FA9GS0007
FORMULA C20H18O8
EXACTMASS 386.100167552
AVERAGEMASS 386.35212
SMILES C(O1)(Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cccc2)C(O)C(C(O)C1)O
M END
