Mol:FL5FECNS0041
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1041 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1041 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1041 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1041 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9915 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9915 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9915 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9915 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1211 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1211 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1211 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1211 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6772 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6772 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2442 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2442 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8111 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8111 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8111 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8111 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2442 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2442 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6772 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6772 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7009 -0.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7009 -0.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4338 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4338 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8186 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8186 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4338 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4338 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6602 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6602 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8186 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8186 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8105 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8105 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 -2.8468 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 -1.9842 -1.0073 | + | M SVB 2 28 -1.9842 -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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -2.8186 -0.4342 | + | M SVB 1 26 -2.8186 -0.4342 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0041 | + | ID FL5FECNS0041 |
| − | KNApSAcK_ID C00005052 | + | KNApSAcK_ID C00005052 |
| − | NAME 3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone | + | NAME 3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone |
| − | CAS_RN 138935-85-0 | + | CAS_RN 138935-85-0 |
| − | FORMULA C18H14O8 | + | FORMULA C18H14O8 |
| − | EXACTMASS 358.068867424 | + | EXACTMASS 358.068867424 |
| − | AVERAGEMASS 358.29896 | + | AVERAGEMASS 358.29896 |
| − | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c3OC)c2cc(c3OC)O)=O)O)c1 | + | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c3OC)c2cc(c3OC)O)=O)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.1041 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1041 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1211 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1211 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2442 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8111 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8111 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2442 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7009 -0.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8186 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6602 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8186 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8105 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -2.8468 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
8 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
1 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 -1.9842 -1.0073
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -2.8186 -0.4342
S SKP 8
ID FL5FECNS0041
KNApSAcK_ID C00005052
NAME 3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone
CAS_RN 138935-85-0
FORMULA C18H14O8
EXACTMASS 358.068867424
AVERAGEMASS 358.29896
SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c3OC)c2cc(c3OC)O)=O)O)c1
M END
