Mol:FL3FEGNS0001
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 |
| − | -1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1541 -4.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1541 -4.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2242 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2242 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -1.1344 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 2 24 1 0 0 0 0 | + | 2 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 -2.5983 -0.7269 | + | M SVB 2 26 -2.5983 -0.7269 |
| − | 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 -2.241 0.4428 | + | M SVB 1 24 -2.241 0.4428 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEGNS0001 | + | ID FL3FEGNS0001 |
| − | KNApSAcK_ID C00003941 | + | KNApSAcK_ID C00003941 |
| − | NAME 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone | + | NAME 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone |
| − | CAS_RN 115713-04-7 | + | CAS_RN 115713-04-7 |
| − | FORMULA C17H14O8 | + | FORMULA C17H14O8 |
| − | EXACTMASS 346.068867424 | + | EXACTMASS 346.068867424 |
| − | AVERAGEMASS 346.28826 | + | AVERAGEMASS 346.28826 |
| − | SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(=C3)c(c2)cc(O)c(O)c(O)2 | + | SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(=C3)c(c2)cc(O)c(O)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
-1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 -4.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2242 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.1344 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
16 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
2 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 -2.5983 -0.7269
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 -2.241 0.4428
S SKP 8
ID FL3FEGNS0001
KNApSAcK_ID C00003941
NAME 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone
CAS_RN 115713-04-7
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(=C3)c(c2)cc(O)c(O)c(O)2
M END
