Mol:FLIAALNF0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.3067 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3067 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3067 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3067 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7504 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7504 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1941 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1941 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1941 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1941 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7504 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7504 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3622 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3622 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9185 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9185 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9185 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9185 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3622 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3622 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4746 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4746 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4746 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4746 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0694 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0694 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6642 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6642 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6642 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6642 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0694 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0694 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9176 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9176 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2952 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2952 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9176 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9176 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7504 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7504 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3622 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3622 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2584 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2584 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9373 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9373 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2584 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2584 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2584 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2584 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0694 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0694 0.9023 0.0000 O 0 0 0 0 0 0 0 0 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 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNF0002 | + | ID FLIAALNF0002 |
| − | KNApSAcK_ID C00009837 | + | KNApSAcK_ID C00009837 |
| − | NAME Lupinisoflavone A | + | NAME Lupinisoflavone A |
| − | CAS_RN 93373-45-6 | + | CAS_RN 93373-45-6 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(C3=O)(c(OC=C(c(c4)c(O)cc(O)c4)3)2)c(O)c(c1c2)CC(O1)C(C)=C | + | SMILES c(C3=O)(c(OC=C(c(c4)c(O)cc(O)c4)3)2)c(O)c(c1c2)CC(O1)C(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
-1.3067 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3067 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1941 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1941 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3622 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9185 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9185 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3622 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4746 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4746 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0694 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6642 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6642 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0694 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9176 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2952 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9176 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3622 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2584 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9373 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2584 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2584 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0694 0.9023 0.0000 O 0 0 0 0 0 0 0 0 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 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 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
3 20 1 0 0 0 0
7 21 2 0 0 0 0
14 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
16 26 1 0 0 0 0
S SKP 8
ID FLIAALNF0002
KNApSAcK_ID C00009837
NAME Lupinisoflavone A
CAS_RN 93373-45-6
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(C3=O)(c(OC=C(c(c4)c(O)cc(O)c4)3)2)c(O)c(c1c2)CC(O1)C(C)=C
M END
