Mol:FL2FALNI0025
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 39 0 0 0 0 0 0 0 0999 V2000 | + | 37 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0700 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0700 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5491 -1.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5491 -1.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0283 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0283 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0283 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0283 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5491 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5491 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0700 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0700 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4926 -1.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4926 -1.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0135 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0135 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0135 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0135 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4926 -0.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4926 -0.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5339 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5339 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4926 -2.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4926 -2.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0682 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0682 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6026 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6026 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6026 -0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6026 -0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0682 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0682 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5339 -0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5339 -0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5491 -2.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5491 -2.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0004 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0004 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0682 -1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0682 -1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1361 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1361 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5491 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5491 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0700 0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0700 0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6064 -2.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6064 -2.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1168 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1168 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6264 -2.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6264 -2.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1361 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1361 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0700 1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0700 1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6690 1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6690 1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6690 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6690 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2680 0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2680 0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6690 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6690 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6264 -2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6264 -2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4969 -0.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4969 -0.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6690 2.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6690 2.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2668 2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2668 2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0712 2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0712 2.6691 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 6 34 1 0 0 0 0 | + | 6 34 1 0 0 0 0 |
| − | 29 35 2 0 0 0 0 | + | 29 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0025 | + | ID FL2FALNI0025 |
| − | KNApSAcK_ID C00008539 | + | KNApSAcK_ID C00008539 |
| − | NAME Exiguaflavanone J | + | NAME Exiguaflavanone J |
| − | CAS_RN 156281-20-8 | + | CAS_RN 156281-20-8 |
| − | FORMULA C30H36O7 | + | FORMULA C30H36O7 |
| − | EXACTMASS 508.246103506 | + | EXACTMASS 508.246103506 |
| − | AVERAGEMASS 508.60264000000006 | + | AVERAGEMASS 508.60264000000006 |
| − | SMILES O(C2c(c(O)3)c(O)cc(O)c3)c(c(CC(C(C)=C)CC=C(C)C)1)c(C(C2)=O)c(c(c1O)CC=C(C)C)O | + | SMILES O(C2c(c(O)3)c(O)cc(O)c3)c(c(CC(C(C)=C)CC=C(C)C)1)c(C(C2)=O)c(c(c1O)CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 39 0 0 0 0 0 0 0 0999 V2000
-1.0700 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 -1.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0700 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4926 -1.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0135 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0135 -1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4926 -0.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5339 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4926 -2.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0682 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6026 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6026 -0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0682 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5339 -0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 -2.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0004 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0682 -1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1361 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0700 0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6064 -2.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1168 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6264 -2.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1361 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0700 1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6690 1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6690 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2680 0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6690 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6264 -2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4969 -0.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6690 2.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2668 2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0712 2.6691 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
2 18 1 0 0 0 0
17 19 1 0 0 0 0
13 20 1 0 0 0 0
15 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
23 28 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
26 33 1 0 0 0 0
6 34 1 0 0 0 0
29 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
S SKP 8
ID FL2FALNI0025
KNApSAcK_ID C00008539
NAME Exiguaflavanone J
CAS_RN 156281-20-8
FORMULA C30H36O7
EXACTMASS 508.246103506
AVERAGEMASS 508.60264000000006
SMILES O(C2c(c(O)3)c(O)cc(O)c3)c(c(CC(C(C)=C)CC=C(C)C)1)c(C(C2)=O)c(c(c1O)CC=C(C)C)O
M END
