Mol:FL3FFCGS0001
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 |
| − | -0.1381 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1381 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1381 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1381 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5628 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5628 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2638 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2638 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2638 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2638 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5628 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5628 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9647 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9647 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6656 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6656 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6656 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6656 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9647 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9647 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9647 -2.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9647 -2.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3663 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3663 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0806 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0806 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7951 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7951 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7951 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7951 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0806 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0806 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3663 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3663 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0806 2.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0806 2.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5628 -2.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5628 -2.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8419 0.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8419 0.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7605 1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7605 1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0032 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0032 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2020 -0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2020 -0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0482 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0482 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9348 -0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9348 -0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7439 0.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7439 0.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7534 -0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7534 -0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7605 0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7605 0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0991 -0.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0991 -0.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1369 -0.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1369 -0.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5628 0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5628 0.9549 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 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 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 |
| − | 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFCGS0001 | + | ID FL3FFCGS0001 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cc(c(O)c3)O)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cc(c(O)c3)O)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
-0.1381 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1381 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5628 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2638 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2638 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5628 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6656 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6656 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 -2.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3663 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0806 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7951 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7951 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0806 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3663 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0806 2.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5628 -2.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8419 0.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7605 1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0032 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2020 -0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0482 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9348 -0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7439 0.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7534 -0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7605 0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0991 -0.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1369 -0.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5628 0.9549 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
16 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
21 15 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 27 1 0 0 0 0
27 22 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 20 1 0 0 0 0
6 31 1 0 0 0 0
S SKP 5
ID FL3FFCGS0001
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cc(c(O)c3)O)C(O)C(C(O)C1)O
M END
