Mol:FL3FAAGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5354 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5354 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5354 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5354 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1658 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1658 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8669 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8669 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8669 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8669 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1658 0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1658 0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5680 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5680 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2691 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2691 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2691 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2691 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5680 0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5680 0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5680 -1.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5680 -1.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9699 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9699 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6845 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6845 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3990 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3990 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3990 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3990 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6845 1.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6845 1.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9699 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9699 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2362 0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2362 0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1658 -1.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1658 -1.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1135 1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1135 1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5111 0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5111 0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8613 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8613 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9255 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9255 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0225 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0225 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6786 0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6786 0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4973 0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4973 0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1135 0.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1135 0.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6318 -0.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6318 -0.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3351 -0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3351 -0.0884 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0006 | + | ID FL3FAAGS0006 |
| − | FORMULA C20H18O9 | + | FORMULA C20H18O9 |
| − | EXACTMASS 402.095082174 | + | EXACTMASS 402.095082174 |
| − | AVERAGEMASS 402.35152 | + | AVERAGEMASS 402.35152 |
| − | SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)c1 | + | SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)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/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.5354 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5354 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1658 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8669 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8669 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1658 0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5680 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2691 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2691 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5680 0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5680 -1.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9699 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6845 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3990 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3990 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6845 1.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9699 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2362 0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1658 -1.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1135 1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5111 0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8613 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9255 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0225 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6786 0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4973 0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1135 0.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6318 -0.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3351 -0.0884 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
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 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 18 1 0 0 0 0
S SKP 5
ID FL3FAAGS0006
FORMULA C20H18O9
EXACTMASS 402.095082174
AVERAGEMASS 402.35152
SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)c1
M END
