Mol:FLIAACNI0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4496 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4496 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1155 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1155 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -2.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -2.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 0.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 0.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1155 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1155 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 1.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 1.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3372 1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3372 1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3372 2.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3372 2.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2177 2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2177 2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8921 2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8921 2.4626 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 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 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 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACNI0002 | + | ID FLIAACNI0002 |
| − | KNApSAcK_ID C00009524 | + | KNApSAcK_ID C00009524 |
| − | NAME 6,8-Diprenylorobol;5,7,3',4'-Tetrahydroxy-6,8-diprenylisoflavone | + | NAME 6,8-Diprenylorobol;5,7,3',4'-Tetrahydroxy-6,8-diprenylisoflavone |
| − | CAS_RN 66777-70-6 | + | CAS_RN 66777-70-6 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c(O)1)(cc(C(C2=O)=COc(c3CC=C(C)C)c(c(c(CC=C(C)C)c3O)O)2)cc1)O | + | SMILES c(c(O)1)(cc(C(C2=O)=COc(c3CC=C(C)C)c(c(c(CC=C(C)C)c3O)O)2)cc1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.4496 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -2.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 1.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3372 1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3372 2.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2177 2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8921 2.4626 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
2 20 1 0 0 0 0
13 21 1 0 0 0 0
1 22 1 0 0 0 0
20 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
6 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIAACNI0002
KNApSAcK_ID C00009524
NAME 6,8-Diprenylorobol;5,7,3',4'-Tetrahydroxy-6,8-diprenylisoflavone
CAS_RN 66777-70-6
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c(O)1)(cc(C(C2=O)=COc(c3CC=C(C)C)c(c(c(CC=C(C)C)c3O)O)2)cc1)O
M END
