Mol:FL2FAAGS0007
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 |
| − | -1.5056 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5056 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5056 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5056 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7911 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7911 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0767 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0767 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0767 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0767 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7911 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7911 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6378 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6378 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3522 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3522 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3522 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3522 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6378 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6378 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0665 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0665 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7947 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7947 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5229 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5229 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5229 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5229 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7947 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7947 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0665 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0665 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6378 -2.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6378 -2.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2201 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2201 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2511 1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2511 1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7911 -2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7911 -2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7032 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7032 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0287 -0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0287 -0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2427 0.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2427 0.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0287 1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0287 1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7032 1.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7032 1.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4892 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4892 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2728 2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2728 2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0287 1.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0287 1.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0960 1.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0960 1.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2511 0.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2511 0.3207 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAAGS0007 | + | ID FL2FAAGS0007 |
| − | FORMULA C21H22O9 | + | FORMULA C21H22O9 |
| − | EXACTMASS 418.126382302 | + | EXACTMASS 418.126382302 |
| − | AVERAGEMASS 418.39398 | + | AVERAGEMASS 418.39398 |
| − | SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C(C)2)c1 | + | SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C(C)2)c1 |
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
-1.5056 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5056 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7911 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0767 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0767 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7911 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6378 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3522 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3522 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6378 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0665 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7947 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5229 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5229 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7947 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0665 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6378 -2.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2201 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2511 1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7911 -2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7032 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0287 -0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2427 0.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0287 1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7032 1.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4892 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2728 2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0287 1.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0960 1.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2511 0.3207 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 18 1 0 0 0 0
S SKP 5
ID FL2FAAGS0007
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C(C)2)c1
M END
