Mol:FLIAACNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9700 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9700 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9700 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9700 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4137 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4137 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8574 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8574 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8574 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8574 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4137 1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4137 1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3011 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3011 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2552 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2552 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2552 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2552 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3011 1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3011 1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8113 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8113 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8113 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8113 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4061 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4061 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0009 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0009 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0009 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0009 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4061 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4061 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3011 -0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3011 -0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5263 1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5263 1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4137 -0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4137 -0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5263 -0.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5263 -0.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5792 -1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5792 -1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2470 -1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2470 -1.4979 0.0000 C 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 |
| − | 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 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACNS0002 | + | ID FLIAACNS0002 |
| − | KNApSAcK_ID C00009455 | + | KNApSAcK_ID C00009455 |
| − | NAME 5-Hydroxypseudobaptigenin | + | NAME 5-Hydroxypseudobaptigenin |
| − | CAS_RN 40624-03-1 | + | CAS_RN 40624-03-1 |
| − | FORMULA C16H10O6 | + | FORMULA C16H10O6 |
| − | EXACTMASS 298.047738052 | + | EXACTMASS 298.047738052 |
| − | AVERAGEMASS 298.24699999999996 | + | AVERAGEMASS 298.24699999999996 |
| − | SMILES Oc(c4)cc(O3)c(c(O)4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1 | + | SMILES Oc(c4)cc(O3)c(c(O)4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.9700 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9700 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3011 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2552 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2552 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3011 1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8113 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8113 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4061 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0009 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0009 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4061 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3011 -0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5263 1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 -0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5263 -0.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5792 -1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2470 -1.4979 0.0000 C 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 1 0 0 0 0
S SKP 8
ID FLIAACNS0002
KNApSAcK_ID C00009455
NAME 5-Hydroxypseudobaptigenin
CAS_RN 40624-03-1
FORMULA C16H10O6
EXACTMASS 298.047738052
AVERAGEMASS 298.24699999999996
SMILES Oc(c4)cc(O3)c(c(O)4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1
M END
