Mol:FLIAALNF0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1192 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1192 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1192 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1192 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5629 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5629 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0066 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0066 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0066 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0066 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5629 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5629 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5497 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5497 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1060 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1060 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1060 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1060 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5497 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5497 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6621 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6621 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6621 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6621 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2569 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2569 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8516 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8516 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8516 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8516 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2569 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2569 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7302 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7302 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1077 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1077 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7302 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7302 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5629 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5629 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5497 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5497 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4458 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4458 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7499 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7499 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0709 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0709 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0709 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0709 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2569 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2569 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4458 0.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4458 0.5150 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 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 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNF0003 | + | ID FLIAALNF0003 |
| − | KNApSAcK_ID C00009838 | + | KNApSAcK_ID C00009838 |
| − | NAME Lupinisoflavone B | + | NAME Lupinisoflavone B |
| − | CAS_RN 91681-64-0 | + | CAS_RN 91681-64-0 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES c(C3=O)(c(OC=C(c(c4)c(O)cc(O)c4)3)2)c(O)c(c1c2)CC(C(C)(C)O)O1 | + | SMILES c(C3=O)(c(OC=C(c(c4)c(O)cc(O)c4)3)2)c(O)c(c1c2)CC(C(C)(C)O)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.1192 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1192 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5629 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5629 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5497 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1060 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1060 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5497 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8516 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8516 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7302 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1077 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7302 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5629 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5497 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4458 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7499 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0709 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0709 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4458 0.5150 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 1 0 0 0 0
23 25 1 0 0 0 0
16 26 1 0 0 0 0
23 27 1 0 0 0 0
S SKP 8
ID FLIAALNF0003
KNApSAcK_ID C00009838
NAME Lupinisoflavone B
CAS_RN 91681-64-0
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES c(C3=O)(c(OC=C(c(c4)c(O)cc(O)c4)3)2)c(O)c(c1c2)CC(C(C)(C)O)O1
M END
