Mol:FL2FA8NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4022 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4022 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4022 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4022 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8459 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8459 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2896 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2896 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2896 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2896 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8459 -0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8459 -0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2667 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2667 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8230 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8230 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8230 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8230 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2667 -0.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2667 -0.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3791 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3791 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9461 -1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9461 -1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5130 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5130 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5130 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5130 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9461 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9461 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3791 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3791 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2667 -2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2667 -2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8459 -2.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8459 -2.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9583 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9583 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8459 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8459 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4020 0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4020 0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4020 1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4020 1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8123 0.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8123 0.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9581 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5130 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5130 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9581 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9581 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9581 2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4032 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4032 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5130 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5130 2.6856 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NI0001 | + | ID FL2FA8NI0001 |
| − | KNApSAcK_ID C00008270 | + | KNApSAcK_ID C00008270 |
| − | NAME Kushenol A | + | NAME Kushenol A |
| − | CAS_RN 99217-63-7 | + | CAS_RN 99217-63-7 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(c3O)c(c(C(=O)2)c(c3CC(C(C)=C)CC=C(C)C)OC(C2)c(c1O)cccc1)O | + | SMILES c(c3O)c(c(C(=O)2)c(c3CC(C(C)=C)CC=C(C)C)OC(C2)c(c1O)cccc1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.4022 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4022 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8459 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2896 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2896 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8459 -0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2667 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8230 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8230 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2667 -0.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3791 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9461 -1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5130 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5130 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9461 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3791 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2667 -2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8459 -2.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9583 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8459 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4020 0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4020 1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8123 0.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9581 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5130 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9581 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9581 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9581 2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4032 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5130 2.6856 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
16 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL2FA8NI0001
KNApSAcK_ID C00008270
NAME Kushenol A
CAS_RN 99217-63-7
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(c3O)c(c(C(=O)2)c(c3CC(C(C)=C)CC=C(C)C)OC(C2)c(c1O)cccc1)O
M END
