Mol:FL2FCKNS0001
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 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8633 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8633 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8633 0.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8633 0.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.1324 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.1324 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8633 -1.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8633 -1.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1970 1.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1970 1.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6246 2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6246 2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7611 -0.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7611 -0.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4756 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4756 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7769 0.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7769 0.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2769 1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2769 1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3616 1.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3616 1.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2277 1.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2277 1.8433 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 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 2.0624 1.1706 | + | M SVB 4 27 2.0624 1.1706 |
| − | 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 -2.7769 0.4863 | + | M SVB 3 25 -2.7769 0.4863 |
| − | 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 1.7611 -0.0176 | + | M SVB 2 23 1.7611 -0.0176 |
| − | 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 1.197 1.7381 | + | M SVB 1 21 1.197 1.7381 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCKNS0001 | + | ID FL2FCKNS0001 |
| − | KNApSAcK_ID C00008360 | + | KNApSAcK_ID C00008360 |
| − | NAME 5-Hydroxy-7,3',4',5'-tetramethoxyflavanone | + | NAME 5-Hydroxy-7,3',4',5'-tetramethoxyflavanone |
| − | CAS_RN 92585-23-4 | + | CAS_RN 92585-23-4 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES O(C(c(c3)cc(c(c(OC)3)OC)OC)2)c(c1C(=O)C2)cc(OC)cc1O | + | SMILES O(C(c(c3)cc(c(c(OC)3)OC)OC)2)c(c1C(=O)C2)cc(OC)cc1O |
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 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 0.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.1324 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7507 0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -1.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1970 1.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6246 2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7611 -0.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4756 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3616 1.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2277 1.8433 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
14 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 2.0624 1.1706
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 -2.7769 0.4863
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 1.7611 -0.0176
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 1.197 1.7381
S SKP 8
ID FL2FCKNS0001
KNApSAcK_ID C00008360
NAME 5-Hydroxy-7,3',4',5'-tetramethoxyflavanone
CAS_RN 92585-23-4
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES O(C(c(c3)cc(c(c(OC)3)OC)OC)2)c(c1C(=O)C2)cc(OC)cc1O
M END
