Mol:FL3FQUNS0001
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4197 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 0.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 0.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2487 1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2487 1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0624 0.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0624 0.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0624 1.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0624 1.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7769 1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7769 1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4258 0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4258 0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1403 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7769 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7769 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2769 1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2769 1.6235 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 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 17 1 0 0 0 0 | + | 16 17 1 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 |
| − | 17 19 2 0 0 0 0 | + | 17 19 2 0 0 0 0 |
| − | 14 20 2 0 0 0 0 | + | 14 20 2 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -2.7769 0.7575 | + | M SVB 3 27 -2.7769 0.7575 |
| − | 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 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 0.4258 0.0103 | + | M SVB 2 25 0.4258 0.0103 |
| − | 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 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 2.0624 1.4418 | + | M SVB 1 23 2.0624 1.4418 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FQUNS0001 | + | ID FL3FQUNS0001 |
| − | KNApSAcK_ID C00004107 | + | KNApSAcK_ID C00004107 |
| − | NAME 5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone | + | NAME 5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C18H14O8 | + | FORMULA C18H14O8 |
| − | EXACTMASS 358.068867424 | + | EXACTMASS 358.068867424 |
| − | AVERAGEMASS 358.29896 | + | AVERAGEMASS 358.29896 |
| − | SMILES c(c3=O)(OC)cc(c(c3OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O)=O | + | SMILES c(c3=O)(OC)cc(c(c3OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4197 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2487 1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 0.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.6235 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 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
17 19 2 0 0 0 0
14 20 2 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.7769 0.7575
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.4258 0.0103
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 2.0624 1.4418
S SKP 8
ID FL3FQUNS0001
KNApSAcK_ID C00004107
NAME 5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone
CAS_RN -
FORMULA C18H14O8
EXACTMASS 358.068867424
AVERAGEMASS 358.29896
SMILES c(c3=O)(OC)cc(c(c3OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O)=O
M END
