Mol:FLIAALNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3665 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3665 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3665 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3665 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8102 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8102 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2539 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2539 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2539 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2539 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8102 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8102 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6976 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6976 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1413 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1413 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1413 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1413 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6976 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6976 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4148 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4148 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4148 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4148 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6044 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6044 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6044 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6044 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6976 -0.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6976 -0.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8102 -0.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8102 -0.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1986 -0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1986 -0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9228 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9228 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 -1.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 -1.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6044 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6044 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1986 -1.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1986 -1.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9228 -0.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9228 -0.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5756 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5756 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1794 -0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1794 -0.4871 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNP0002 | + | ID FLIAALNP0002 |
| − | KNApSAcK_ID C00009497 | + | KNApSAcK_ID C00009497 |
| − | NAME Licoisoflavone B | + | NAME Licoisoflavone B |
| − | CAS_RN 66056-30-2 | + | CAS_RN 66056-30-2 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(=CO3)c(c2O)ccc(c21)OC(C=C1)(C)C | + | SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(=CO3)c(c2O)ccc(c21)OC(C=C1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.3665 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3665 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8102 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2539 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2539 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8102 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6976 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1413 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1413 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6976 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4148 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4148 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6044 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6044 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6976 -0.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8102 -0.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1986 -0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9228 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 -1.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6044 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1986 -1.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9228 -0.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5756 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1794 -0.4871 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
8 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
1 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 19 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
12 26 1 0 0 0 0
S SKP 8
ID FLIAALNP0002
KNApSAcK_ID C00009497
NAME Licoisoflavone B
CAS_RN 66056-30-2
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(=CO3)c(c2O)ccc(c21)OC(C=C1)(C)C
M END
