Mol:FL5FE9NS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0368 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0368 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5367 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5367 1.6016 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 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.0368 0.7355 | + | M SVB 2 24 -2.0368 0.7355 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -1.5597 -1.0073 | + | M SVB 1 22 -1.5597 -1.0073 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FE9NS0006 | + | ID FL5FE9NS0006 |
| − | KNApSAcK_ID C00004547 | + | KNApSAcK_ID C00004547 |
| − | NAME 3,6-Dihydroxy-5,7-dimethoxyflavone | + | NAME 3,6-Dihydroxy-5,7-dimethoxyflavone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c1)c(O)c(OC)c(C(=O)2)c1OC(c(c3)cccc3)=C(O)2 | + | SMILES COc(c1)c(O)c(OC)c(C(=O)2)c1OC(c(c3)cccc3)=C(O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0368 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5367 1.6016 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
2 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.0368 0.7355
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.5597 -1.0073
S SKP 8
ID FL5FE9NS0006
KNApSAcK_ID C00004547
NAME 3,6-Dihydroxy-5,7-dimethoxyflavone
CAS_RN -
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c1)c(O)c(OC)c(C(=O)2)c1OC(c(c3)cccc3)=C(O)2
M END
