Mol:FL3FALNS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0624 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0624 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4197 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4197 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4197 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4197 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1521 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1521 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9197 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9197 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9425 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9425 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2281 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2281 -1.4198 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -1.9425 -1.0073 | + | M SVB 2 25 -1.9425 -1.0073 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.4197 0.7355 | + | M SVB 1 23 -2.4197 0.7355 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNS0008 | + | ID FL3FALNS0008 |
| − | KNApSAcK_ID C00004075 | + | KNApSAcK_ID C00004075 |
| − | NAME Isoetin 5,7-dimethyl ether | + | NAME Isoetin 5,7-dimethyl ether |
| − | CAS_RN 145194-17-8 | + | CAS_RN 145194-17-8 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c1)cc(O2)c(C(=O)C=C2c(c3)c(O)cc(O)c(O)3)c(OC)1 | + | SMILES COc(c1)cc(O2)c(C(=O)C=C2c(c3)c(O)cc(O)c(O)3)c(OC)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1521 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9425 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 -1.4198 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
14 18 1 0 0 0 0
15 19 1 0 0 0 0
17 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -1.9425 -1.0073
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.4197 0.7355
S SKP 8
ID FL3FALNS0008
KNApSAcK_ID C00004075
NAME Isoetin 5,7-dimethyl ether
CAS_RN 145194-17-8
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c1)cc(O2)c(C(=O)C=C2c(c3)c(O)cc(O)c(O)3)c(OC)1
M END
