Mol:FLIAAANI0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0043 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0043 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0043 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0043 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5604 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5604 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 2.1206 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 |
| − | 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANI0009 | + | ID FLIAAANI0009 |
| − | KNApSAcK_ID C00009896 | + | KNApSAcK_ID C00009896 |
| − | NAME Lupiwighteone;5,7,4'-Trihydroxy-8-prenylisoflavone | + | NAME Lupiwighteone;5,7,4'-Trihydroxy-8-prenylisoflavone |
| − | CAS_RN 104691-86-3 | + | CAS_RN 104691-86-3 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C1c(c2)ccc(O)c2 | + | SMILES c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C1c(c2)ccc(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0045 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5604 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 2.1206 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
21 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
S SKP 8
ID FLIAAANI0009
KNApSAcK_ID C00009896
NAME Lupiwighteone;5,7,4'-Trihydroxy-8-prenylisoflavone
CAS_RN 104691-86-3
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C1c(c2)ccc(O)c2
M END
