Mol:FL5FALNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1289 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1289 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1289 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1289 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5726 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5726 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0163 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0163 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0163 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0163 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5726 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5726 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5400 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5400 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0963 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0963 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0963 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0963 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5400 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5400 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5400 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5400 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6524 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6524 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2193 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2193 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7863 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7863 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7863 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7863 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2193 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2193 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6524 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6524 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6761 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6761 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5726 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5726 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3531 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3531 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6850 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6850 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5726 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5726 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1287 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1287 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1287 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1287 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6848 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6848 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2409 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2409 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7970 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7970 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3531 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3531 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7970 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7970 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6848 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6848 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5726 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5726 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0855 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0855 0.9821 0.0000 O 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 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 |
| − | 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 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 24 31 2 0 0 0 0 | + | 24 31 2 0 0 0 0 |
| − | 17 32 1 0 0 0 0 | + | 17 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FALNI0001 | + | ID FL5FALNI0001 |
| − | KNApSAcK_ID C00005021 | + | KNApSAcK_ID C00005021 |
| − | NAME Kushenol C | + | NAME Kushenol C |
| − | CAS_RN 99119-73-0 | + | CAS_RN 99119-73-0 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES c(c(O)1)c(O)c(C3=O)c(OC(=C(O)3)c(c2O)ccc(O)c2)c(CC(C(C)=C)CC=C(C)C)1 | + | SMILES c(c(O)1)c(O)c(C3=O)c(OC(=C(O)3)c(c2O)ccc(O)c2)c(CC(C(C)=C)CC=C(C)C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.1289 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1289 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0163 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0163 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6524 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2193 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7863 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7863 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2193 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6524 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6761 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3531 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6850 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1287 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1287 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6848 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2409 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7970 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3531 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7970 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6848 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0855 0.9821 0.0000 O 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
15 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 1 1 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
24 30 1 0 0 0 0
24 31 2 0 0 0 0
17 32 1 0 0 0 0
S SKP 8
ID FL5FALNI0001
KNApSAcK_ID C00005021
NAME Kushenol C
CAS_RN 99119-73-0
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES c(c(O)1)c(O)c(C3=O)c(OC(=C(O)3)c(c2O)ccc(O)c2)c(CC(C(C)=C)CC=C(C)C)1
M END
