Mol:FLIAALNF0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7819 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7819 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7819 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7819 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2256 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2256 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6693 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6693 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6693 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6693 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2256 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2256 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1130 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1130 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4433 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4433 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4433 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4433 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1130 0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1130 0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9994 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9994 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9994 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9994 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5942 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5942 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1890 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1890 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1890 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1890 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5942 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5942 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1130 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1130 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3380 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3380 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3380 0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3380 0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2256 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2256 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7832 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7832 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3380 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3380 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8929 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8929 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8929 -1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8929 -1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4478 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4478 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6994 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6994 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4200 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4200 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7370 0.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7370 0.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7631 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7631 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4478 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4478 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4207 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4207 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1054 1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1054 1.9380 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 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 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 16 1 0 0 0 0 | + | 28 16 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 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 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNF0006 | + | ID FLIAALNF0006 |
| − | KNApSAcK_ID C00009918 | + | KNApSAcK_ID C00009918 |
| − | NAME Lupinisoflavone J | + | NAME Lupinisoflavone J |
| − | CAS_RN 121747-95-3 | + | CAS_RN 121747-95-3 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES Oc(c2)c(c(c(C(=C3)C(c(c(O)4)c(cc(c4CC=C(C)C)O)O3)=O)c2)1)CC(O1)C(C)(C)O | + | SMILES Oc(c2)c(c(c(C(=C3)C(c(c(O)4)c(cc(c4CC=C(C)C)O)O3)=O)c2)1)CC(O1)C(C)(C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.7819 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7819 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2256 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6693 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6693 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2256 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1130 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4433 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4433 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1130 0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9994 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9994 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5942 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5942 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1130 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3380 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3380 0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2256 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3380 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 -1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4478 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4200 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7370 0.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7631 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4478 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4207 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1054 1.9380 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
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 16 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FLIAALNF0006
KNApSAcK_ID C00009918
NAME Lupinisoflavone J
CAS_RN 121747-95-3
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES Oc(c2)c(c(c(C(=C3)C(c(c(O)4)c(cc(c4CC=C(C)C)O)O3)=O)c2)1)CC(O1)C(C)(C)O
M END
