Mol:FL3FAGNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9629 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 -1.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 -1.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4931 1.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4931 1.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5192 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5192 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5192 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5192 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3733 -1.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3733 -1.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3733 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3733 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9282 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9282 -1.3010 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAGNI0001 | + | ID FL3FAGNI0001 |
| − | KNApSAcK_ID C00004039 | + | KNApSAcK_ID C00004039 |
| − | NAME Asplenetin | + | NAME Asplenetin |
| − | CAS_RN 97180-29-5 | + | CAS_RN 97180-29-5 |
| − | FORMULA C20H20O7 | + | FORMULA C20H20O7 |
| − | EXACTMASS 372.120902994 | + | EXACTMASS 372.120902994 |
| − | AVERAGEMASS 372.3686 | + | AVERAGEMASS 372.3686 |
| − | SMILES O(c21)C(c(c3)cc(O)c(O)c(O)3)=C(CCC(C)C)C(=O)c1c(cc(O)c2)O | + | SMILES O(c21)C(c(c3)cc(O)c(O)c(O)3)=C(CCC(C)C)C(=O)c1c(cc(O)c2)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.9629 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4931 1.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -1.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9282 -1.3010 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 1 0 0 0 0
16 21 1 0 0 0 0
14 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL3FAGNI0001
KNApSAcK_ID C00004039
NAME Asplenetin
CAS_RN 97180-29-5
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES O(c21)C(c(c3)cc(O)c(O)c(O)3)=C(CCC(C)C)C(=O)c1c(cc(O)c2)O
M END
