Mol:FL3FALGS0002
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 |
| − | -2.4659 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4659 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4659 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4659 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7647 -2.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7647 -2.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0636 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0636 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0636 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0636 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7647 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7647 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3627 -2.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3627 -2.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3384 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3384 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3384 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3384 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3627 -1.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3627 -1.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3627 -3.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3627 -3.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0392 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0392 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7537 -1.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7537 -1.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4682 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4682 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4682 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4682 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7537 -0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7537 -0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0392 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0392 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7647 -3.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7647 -3.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1827 -0.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1827 -0.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1827 -1.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1827 -1.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1827 -1.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1827 -1.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3249 -0.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3249 -0.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5977 3.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5977 3.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1131 2.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1131 2.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1474 1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1474 1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5803 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5803 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2839 1.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2839 1.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2399 2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2399 2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3686 3.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3686 3.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6034 2.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6034 2.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1580 0.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1580 0.2771 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 |
| − | 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 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 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 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FALGS0002 | + | ID FL3FALGS0002 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(O1)(Oc(c2)c(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(O)c(O)2)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c2)c(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(O)c(O)2)C(O)C(C(O)C1)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
-2.4659 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4659 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7647 -2.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0636 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0636 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7647 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3627 -2.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3384 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3384 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3627 -1.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3627 -3.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0392 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7537 -1.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4682 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4682 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7537 -0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0392 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7647 -3.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1827 -0.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1827 -1.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1827 -1.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3249 -0.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5977 3.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1131 2.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1474 1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5803 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 1.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2399 2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3686 3.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6034 2.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 0.2771 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
21 1 1 0 0 0 0
17 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 22 1 0 0 0 0
S SKP 5
ID FL3FALGS0002
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(O1)(Oc(c2)c(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(O)c(O)2)C(O)C(C(O)C1)O
M END
