Mol:FL2FECNS0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.1030 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0613 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0613 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0195 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0195 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0195 -0.1832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0195 -0.1832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5696 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5696 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -1.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -1.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5696 0.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5696 0.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5696 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5696 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3020 1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3020 1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7281 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7281 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4603 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4603 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9603 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9603 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8175 -0.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8175 -0.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8054 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8054 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 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 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 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 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 -2.8175 -0.6726 | + | M SVB 4 27 -2.8175 -0.6726 |
| − | 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 -2.4603 0.4356 | + | M SVB 3 25 -2.4603 0.4356 |
| − | 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 1.302 1.6093 | + | M SVB 2 23 1.302 1.6093 |
| − | 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 2.103 1.0423 | + | M SVB 1 21 2.103 1.0423 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FECNS0006 | + | ID FL2FECNS0006 |
| − | KNApSAcK_ID C00008416 | + | KNApSAcK_ID C00008416 |
| − | NAME 5-Hydroxy-6,7,3',4'-tetramethoxyflavanone | + | NAME 5-Hydroxy-6,7,3',4'-tetramethoxyflavanone |
| − | CAS_RN 115920-39-3 | + | CAS_RN 115920-39-3 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC | + | SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC |
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
-2.1030 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 -0.1832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5404 0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -1.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5696 0.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5696 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4603 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9603 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8175 -0.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8054 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
16 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
1 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 -2.8175 -0.6726
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 -2.4603 0.4356
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 1.302 1.6093
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 2.103 1.0423
S SKP 8
ID FL2FECNS0006
KNApSAcK_ID C00008416
NAME 5-Hydroxy-6,7,3',4'-tetramethoxyflavanone
CAS_RN 115920-39-3
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC
M END
