Mol:FLIAALNP0012
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.0048 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0048 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0048 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0048 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4485 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4485 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8922 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8922 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8922 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8922 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4485 0.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4485 0.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3359 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3359 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2204 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2204 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2204 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2204 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3359 0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3359 0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7765 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7765 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7765 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7765 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3713 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3713 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9661 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9661 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9661 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9661 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3713 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3713 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3359 -0.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3359 -0.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5609 0.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5609 0.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4485 -0.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4485 -0.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5609 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5609 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5609 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5609 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9661 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9661 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3713 0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3713 0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3441 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3441 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5227 1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5227 1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5603 -1.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5603 -1.3811 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 |
| − | 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 16 1 0 0 0 0 | + | 23 16 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNP0012 | + | ID FLIAALNP0012 |
| − | KNApSAcK_ID C00009874 | + | KNApSAcK_ID C00009874 |
| − | NAME Sophoraisoflavone A;Allolicoisoflavone B | + | NAME Sophoraisoflavone A;Allolicoisoflavone B |
| − | CAS_RN 117204-81-6 | + | CAS_RN 117204-81-6 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(c1)c(O)c(C=4)c(OC(C4)(C)C)c1C(C(=O)2)=COc(c3)c2c(cc(O)3)O | + | SMILES c(c1)c(O)c(C=4)c(OC(C4)(C)C)c1C(C(=O)2)=COc(c3)c2c(cc(O)3)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/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.0048 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0048 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4485 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8922 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8922 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4485 0.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3359 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2204 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2204 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3359 0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7765 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7765 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3713 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9661 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9661 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3713 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3359 -0.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5609 0.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4485 -0.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5609 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5609 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9661 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3713 0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3441 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5227 1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5603 -1.3811 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 16 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
14 26 1 0 0 0 0
S SKP 8
ID FLIAALNP0012
KNApSAcK_ID C00009874
NAME Sophoraisoflavone A;Allolicoisoflavone B
CAS_RN 117204-81-6
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(c1)c(O)c(C=4)c(OC(C4)(C)C)c1C(C(=O)2)=COc(c3)c2c(cc(O)3)O
M END
