Mol:FL2FA8NI0002
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.2556 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2556 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7347 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7347 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2138 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2138 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2138 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2138 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7347 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7347 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2556 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2556 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3070 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3070 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8279 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8279 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8279 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8279 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3070 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3070 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3483 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3483 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3070 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3070 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8827 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8827 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4170 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4170 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4170 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4170 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8827 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8827 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3483 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3483 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7760 -0.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7760 -0.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7347 -2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7347 -2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7347 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7347 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2798 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2798 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2798 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2798 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8490 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8490 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7542 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7542 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2281 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2281 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8148 0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8148 0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8827 -1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8827 -1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8490 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8490 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4170 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4170 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2810 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2810 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 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 |
| − | 22 23 1 0 0 0 0 | + | 22 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 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
| − | 13 28 1 0 0 0 0 | + | 13 28 1 0 0 0 0 |
| − | 23 29 2 0 0 0 0 | + | 23 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 FL2FA8NI0002 | + | ID FL2FA8NI0002 |
| − | KNApSAcK_ID C00008519 | + | KNApSAcK_ID C00008519 |
| − | NAME Exiguaflavanone A | + | NAME Exiguaflavanone A |
| − | CAS_RN 142608-98-8 | + | CAS_RN 142608-98-8 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES CC(=C)C(CC=C(C)C)Cc(c1O)c(O2)c(C(CC(c(c(O)3)c(O)ccc3)2)=O)c(c1)O | + | SMILES CC(=C)C(CC=C(C)C)Cc(c1O)c(O2)c(C(CC(c(c(O)3)c(O)ccc3)2)=O)c(c1)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
-1.2556 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2556 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3070 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8279 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8279 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3070 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3483 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3070 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8827 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8827 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3483 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7760 -0.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 -2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8490 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7542 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2281 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8148 0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8827 -1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8490 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4170 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2810 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
2 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 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
17 27 1 0 0 0 0
13 28 1 0 0 0 0
23 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FA8NI0002
KNApSAcK_ID C00008519
NAME Exiguaflavanone A
CAS_RN 142608-98-8
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES CC(=C)C(CC=C(C)C)Cc(c1O)c(O2)c(C(CC(c(c(O)3)c(O)ccc3)2)=O)c(c1)O
M END
