Mol:FL63AAGS0001
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 |
| − | -2.9769 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9769 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9769 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9769 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2624 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2624 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5480 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5480 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5480 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5480 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2624 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2624 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8337 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8337 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1192 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1192 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1192 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1192 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8337 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8337 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5952 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5952 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3156 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3156 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0360 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0360 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0360 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0360 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3156 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3156 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5952 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5952 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7255 1.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7255 1.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6913 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6913 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5952 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5952 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2624 -1.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2624 -1.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6836 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6836 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3135 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3135 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0249 -0.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0249 -0.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7408 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7408 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1108 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1108 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3993 -0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3993 -0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1422 -0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1422 -0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7967 -0.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7967 -0.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6913 -0.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6913 -0.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63AAGS0001 | + | ID FL63AAGS0001 |
| − | FORMULA C20H22O9 | + | FORMULA C20H22O9 |
| − | EXACTMASS 406.126382302 | + | EXACTMASS 406.126382302 |
| − | AVERAGEMASS 406.38328 | + | AVERAGEMASS 406.38328 |
| − | SMILES c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(C(O)C3)O)1)Oc(c2)c(c(cc(O)2)O)C1 | + | SMILES c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(C(O)C3)O)1)Oc(c2)c(c(cc(O)2)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
-2.9769 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9769 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5480 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5480 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1192 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1192 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5952 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5952 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7255 1.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6913 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5952 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 -1.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6836 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0249 -0.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7408 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1108 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3993 -0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1422 -0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7967 -0.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6913 -0.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 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
26 28 1 0 0 0 0
22 19 1 0 0 0 0
25 29 1 0 0 0 0
S SKP 5
ID FL63AAGS0001
FORMULA C20H22O9
EXACTMASS 406.126382302
AVERAGEMASS 406.38328
SMILES c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(C(O)C3)O)1)Oc(c2)c(c(cc(O)2)O)C1
M END
