Mol:FL3FAAGM0001
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 |
| − | -1.8518 1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8518 1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8518 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8518 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1509 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1509 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4497 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4497 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4497 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4497 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1509 1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1509 1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2514 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2514 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9524 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9524 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9524 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9524 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2514 1.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2514 1.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2514 -0.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2514 -0.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6532 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6532 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3677 1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3677 1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0823 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0823 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0823 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0823 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3677 3.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3677 3.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6532 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6532 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1509 -0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1509 -0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7967 3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7967 3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5688 1.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5688 1.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7812 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7812 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2332 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2332 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3641 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3641 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4899 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4899 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0379 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0379 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9069 -1.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9069 -1.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6205 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6205 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7967 -2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7967 -2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8605 -2.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8605 -2.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4899 -3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4899 -3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6519 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6519 0.1450 0.0000 C 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGM0001 | + | ID FL3FAAGM0001 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES c(c4)(ccc(c4)C(=C(C)1)Oc(c3)c(c(cc3O)OC(O2)C(C(C(O)C2C)O)O)C1=O)O | + | SMILES c(c4)(ccc(c4)C(=C(C)1)Oc(c3)c(c(cc3O)OC(O2)C(C(C(O)C2C)O)O)C1=O)O |
M END | M END | ||
| − | |||
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
-1.8518 1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8518 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4497 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4497 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2514 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9524 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9524 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2514 1.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2514 -0.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6532 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 3.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6532 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 -0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7967 3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5688 1.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7812 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2332 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3641 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4899 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0379 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9069 -1.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6205 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7967 -2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8605 -2.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4899 -3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 0.1450 0.0000 C 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
8 31 1 0 0 0 0
S SKP 5
ID FL3FAAGM0001
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES c(c4)(ccc(c4)C(=C(C)1)Oc(c3)c(c(cc3O)OC(O2)C(C(C(O)C2C)O)O)C1=O)O
M END
