Mol:FLIAAANF0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0617 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0617 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0617 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0617 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5054 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5054 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9491 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9491 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9491 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9491 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5054 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5054 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3928 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3928 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1635 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1635 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1635 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1635 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3928 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3928 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7196 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7196 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7196 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7196 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3144 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3144 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9092 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9092 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9092 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9092 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3144 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3144 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6726 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6726 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0502 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0502 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6726 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6726 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5054 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5054 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3928 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3928 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5034 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5034 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6923 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6923 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0134 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0134 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0134 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0134 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5034 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5034 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2860 0.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2860 0.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0976 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0976 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6918 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6918 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6918 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6918 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2860 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2860 -0.1272 0.0000 C 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 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 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 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANF0004 | + | ID FLIAAANF0004 |
| − | KNApSAcK_ID C00009932 | + | KNApSAcK_ID C00009932 |
| − | NAME Lupinisoflavone G | + | NAME Lupinisoflavone G |
| − | CAS_RN 121747-91-9 | + | CAS_RN 121747-91-9 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES O(c41)C(C(C)(C)O)Cc(c(c(c(c4)2)C(=O)C(c(c3)cc(c(c3)O)CC=C(C)C)=CO2)O)1 | + | SMILES O(c41)C(C(C)(C)O)Cc(c(c(c(c4)2)C(=O)C(c(c3)cc(c(c3)O)CC=C(C)C)=CO2)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.0617 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0617 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5054 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9491 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9491 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5054 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3928 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1635 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1635 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3928 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7196 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7196 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3144 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9092 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9092 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3144 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0502 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5054 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3928 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5034 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6923 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0134 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0134 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5034 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2860 0.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0976 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6918 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6918 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2860 -0.1272 0.0000 C 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
15 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
14 26 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIAAANF0004
KNApSAcK_ID C00009932
NAME Lupinisoflavone G
CAS_RN 121747-91-9
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES O(c41)C(C(C)(C)O)Cc(c(c(c(c4)2)C(=O)C(c(c3)cc(c(c3)O)CC=C(C)C)=CO2)O)1
M END
