Mol:FLIAALNI0003
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 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 |
| − | -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 |
| − | 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 |
| − | 0.1826 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1826 -2.1203 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 |
| − | -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 |
| − | -0.8921 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8921 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8921 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8921 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3360 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3360 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0003 | + | ID FLIAALNI0003 |
| − | KNApSAcK_ID C00009502 | + | KNApSAcK_ID C00009502 |
| − | NAME 2,3-Dehydrokievitone;5,7,2',4'-Tetrahydroxy-8-prenylisoflavone | + | NAME 2,3-Dehydrokievitone;5,7,2',4'-Tetrahydroxy-8-prenylisoflavone |
| − | CAS_RN 74161-25-4 | + | CAS_RN 74161-25-4 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1 | + | SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1 |
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 28 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
-1.4482 -1.7326 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
0.1826 -2.1203 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
-1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8921 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8921 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3360 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 2 1 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
12 20 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FLIAALNI0003
KNApSAcK_ID C00009502
NAME 2,3-Dehydrokievitone;5,7,2',4'-Tetrahydroxy-8-prenylisoflavone
CAS_RN 74161-25-4
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1
M END
