Mol:FL2FEANS0006
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1040 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1040 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1040 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1040 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5477 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5477 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9914 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9914 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9914 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9914 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5477 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5477 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4351 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4351 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1212 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1212 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1212 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1212 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4351 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4351 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6773 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6773 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2443 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2443 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8112 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8112 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8112 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8112 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2443 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2443 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6773 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6773 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4351 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4351 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7149 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7149 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0925 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0925 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7149 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7149 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3780 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3780 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0925 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0925 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9841 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9841 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2697 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2697 -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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 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 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 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 24 -8.2362 4.1152 | + | M SBV 1 24 -8.2362 4.1152 |
| − | 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 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 26 -9.2394 3.6275 | + | M SBV 2 26 -9.2394 3.6275 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FEANS0006 | + | ID FL2FEANS0006 |
| − | KNApSAcK_ID C00008258 | + | KNApSAcK_ID C00008258 |
| − | NAME 5,4'-Dimethoxy-6,7-methylenedioxyflavanone | + | NAME 5,4'-Dimethoxy-6,7-methylenedioxyflavanone |
| − | CAS_RN 105801-21-6 | + | CAS_RN 105801-21-6 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES O(C(c(c4)ccc(OC)c4)3)c(c2)c(C(=O)C3)c(c(c21)OCO1)OC | + | SMILES O(C(c(c4)ccc(OC)c4)3)c(c2)c(C(=O)C3)c(c(c21)OCO1)OC |
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 27 0 0 0 0 0 0 0 0999 V2000
-2.1040 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0925 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3780 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0925 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2697 -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 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
14 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 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -8.2362 4.1152
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SBV 2 26 -9.2394 3.6275
S SKP 8
ID FL2FEANS0006
KNApSAcK_ID C00008258
NAME 5,4'-Dimethoxy-6,7-methylenedioxyflavanone
CAS_RN 105801-21-6
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES O(C(c(c4)ccc(OC)c4)3)c(c2)c(C(=O)C3)c(c(c21)OCO1)OC
M END
