Mol:FL3FGANS0009
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 |
| − | -2.2410 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9555 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9555 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9703 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9703 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9555 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9555 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9474 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9474 -0.3073 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 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 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 27 -2.9555 -0.4342 | + | M SVB 4 27 -2.9555 -0.4342 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 -1.4067 1.011 | + | M SVB 3 25 -1.4067 1.011 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 2.241 1.4197 | + | M SVB 2 23 2.241 1.4197 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -2.1212 -1.0073 | + | M SVB 1 21 -2.1212 -1.0073 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGANS0009 | + | ID FL3FGANS0009 |
| − | KNApSAcK_ID C00003882 | + | KNApSAcK_ID C00003882 |
| − | NAME 7-Hydroxy-5,6,8,4'-tetramethoxyflavone | + | NAME 7-Hydroxy-5,6,8,4'-tetramethoxyflavone |
| − | CAS_RN 73213-66-8 | + | CAS_RN 73213-66-8 |
| − | FORMULA C19H18O7 | + | FORMULA C19H18O7 |
| − | EXACTMASS 358.10525293 | + | EXACTMASS 358.10525293 |
| − | AVERAGEMASS 358.34202000000005 | + | AVERAGEMASS 358.34202000000005 |
| − | SMILES c(C(O2)=CC(c(c3OC)c2c(c(c3OC)O)OC)=O)(c1)ccc(OC)c1 | + | SMILES c(C(O2)=CC(c(c3OC)c2c(c(c3OC)O)OC)=O)(c1)ccc(OC)c1 |
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
-2.2410 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9555 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9703 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9555 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9474 -0.3073 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
19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 -2.9555 -0.4342
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -1.4067 1.011
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 2.241 1.4197
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.1212 -1.0073
S SKP 8
ID FL3FGANS0009
KNApSAcK_ID C00003882
NAME 7-Hydroxy-5,6,8,4'-tetramethoxyflavone
CAS_RN 73213-66-8
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES c(C(O2)=CC(c(c3OC)c2c(c(c3OC)O)OC)=O)(c1)ccc(OC)c1
M END
