Mol:FLIA1LNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8061 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8061 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8061 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8061 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0917 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0917 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3770 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3770 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3770 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3770 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0917 1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0917 1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0520 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0520 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0520 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0520 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 1.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 1.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5203 1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5203 1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -1.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -1.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7661 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7661 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7661 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7661 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4287 -1.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4287 -1.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0914 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0914 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0914 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0914 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4287 0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4287 0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8058 -1.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8058 -1.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5203 -1.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5203 -1.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0516 -1.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0516 -1.4138 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 2 0 0 0 0 | + | 18 13 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNS0001 | + | ID FLIA1LNS0001 |
| − | KNApSAcK_ID C00000257 | + | KNApSAcK_ID C00000257 |
| − | NAME Xenognosin B;2'-Hydroxyformononetin | + | NAME Xenognosin B;2'-Hydroxyformononetin |
| − | CAS_RN 1890-99-9 | + | CAS_RN 1890-99-9 |
| − | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
| − | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
| − | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
| − | SMILES COc(c3)cc(O)c(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)cc(O)c(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.8061 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8061 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0917 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3770 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3770 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0917 1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 1.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5203 1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -1.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7661 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7661 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4287 -1.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0914 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0914 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4287 0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8058 -1.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5203 -1.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0516 -1.4138 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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 13 2 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
S SKP 8
ID FLIA1LNS0001
KNApSAcK_ID C00000257
NAME Xenognosin B;2'-Hydroxyformononetin
CAS_RN 1890-99-9
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)cc(O)c(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M END
