Mol:FL3FEGNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8165 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8165 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3245 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3245 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7208 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7208 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6093 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6093 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1013 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1013 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7050 0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7050 0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0057 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0057 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8941 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8941 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3862 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3862 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9898 1.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9898 1.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6220 -0.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6220 -0.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2747 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2747 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6595 2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6595 2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5458 2.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5458 2.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0473 3.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0473 3.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6625 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6625 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7762 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7762 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4199 -0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4199 -0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2289 -1.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2289 -1.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9336 3.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9336 3.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1638 3.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1638 3.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9305 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9305 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1180 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1180 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3939 3.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3939 3.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3336 3.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3336 3.4138 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 2.0624 -0.0612 | + | M SVB 2 26 2.0624 -0.0612 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.7769 -0.7269 | + | M SVB 1 24 -2.7769 -0.7269 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEGNS0002 | + | ID FL3FEGNS0002 |
| − | KNApSAcK_ID C00003942 | + | KNApSAcK_ID C00003942 |
| − | NAME 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone | + | NAME 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| − | CAS_RN 79154-47-5 | + | CAS_RN 79154-47-5 |
| − | FORMULA C17H14O8 | + | FORMULA C17H14O8 |
| − | EXACTMASS 346.068867424 | + | EXACTMASS 346.068867424 |
| − | AVERAGEMASS 346.28826 | + | AVERAGEMASS 346.28826 |
| − | SMILES COc(c1)c(O)c(O)cc1C(=C3)Oc(c2)c(C(=O)3)c(O)c(OC)c(O)2 | + | SMILES COc(c1)c(O)c(O)cc1C(=C3)Oc(c2)c(C(=O)3)c(O)c(OC)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/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.8165 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3245 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7208 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6093 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1013 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7050 0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0057 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8941 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3862 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9898 1.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6220 -0.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2747 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6595 2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5458 2.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 3.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6625 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7762 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4199 -0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2289 -1.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9336 3.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1638 3.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9305 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1180 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3939 3.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3336 3.4138 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 2.0624 -0.0612
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.7769 -0.7269
S SKP 8
ID FL3FEGNS0002
KNApSAcK_ID C00003942
NAME 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone
CAS_RN 79154-47-5
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c1)c(O)c(O)cc1C(=C3)Oc(c2)c(C(=O)3)c(O)c(OC)c(O)2
M END
