Mol:FL3FA9NC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9106 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9106 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9106 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9106 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3543 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3543 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2020 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2020 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2020 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2020 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3543 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3543 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7583 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7583 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3146 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3146 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3146 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3146 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7583 0.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7583 0.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7583 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7583 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8707 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8707 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4377 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4377 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0046 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0046 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0046 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0046 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4377 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4377 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8707 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8707 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4667 -0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4667 -0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9797 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9797 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 -0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 -0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9797 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9797 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4667 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4667 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1292 -1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1292 -1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0046 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0046 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7907 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7907 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0763 -0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0763 -0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2679 1.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2679 1.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7679 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7679 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4381 -1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4381 -1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7236 -1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7236 -1.8576 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 3 2 30 31 |
| − | M SBL 3 1 33 | + | M SBL 3 1 33 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 33 -2.4381 -1.4451 | + | M SVB 3 33 -2.4381 -1.4451 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 31 -1.2679 1.1733 | + | M SVB 2 31 -1.2679 1.1733 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 -0.7907 -0.5695 | + | M SVB 1 29 -0.7907 -0.5695 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NC0001 | + | ID FL3FA9NC0001 |
| − | KNApSAcK_ID C00004054 | + | KNApSAcK_ID C00004054 |
| − | NAME 5-O-Methylhoslundin;5,7-Dimethoxy-6-(5-methoxy-6-methyl-4-oxo-4H-pyran-3-yl)-2-phenyl-4H-1-benzopyran-4-one | + | NAME 5-O-Methylhoslundin;5,7-Dimethoxy-6-(5-methoxy-6-methyl-4-oxo-4H-pyran-3-yl)-2-phenyl-4H-1-benzopyran-4-one |
| − | CAS_RN 135404-71-6 | + | CAS_RN 135404-71-6 |
| − | FORMULA C24H20O7 | + | FORMULA C24H20O7 |
| − | EXACTMASS 420.120902994 | + | EXACTMASS 420.120902994 |
| − | AVERAGEMASS 420.41139999999996 | + | AVERAGEMASS 420.41139999999996 |
| − | SMILES O(c24)C(=CC(c(c(c(c(c4)OC)C(C(=O)3)=COC(C)=C3OC)OC)2)=O)c(c1)cccc1 | + | SMILES O(c24)C(=CC(c(c(c(c(c4)OC)C(C(=O)3)=COC(C)=C3OC)OC)2)=O)c(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.9106 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9106 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2020 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2020 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3146 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3146 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 0.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8707 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0046 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0046 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8707 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4667 -0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9797 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9797 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4667 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1292 -1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0046 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7907 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 -0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2679 1.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7679 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4381 -1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7236 -1.8576 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
2 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 2 0 0 0 0
21 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 30 31
M SBL 3 1 33
M SMT 3 OCH3
M SVB 3 33 -2.4381 -1.4451
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 -1.2679 1.1733
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -0.7907 -0.5695
S SKP 8
ID FL3FA9NC0001
KNApSAcK_ID C00004054
NAME 5-O-Methylhoslundin;5,7-Dimethoxy-6-(5-methoxy-6-methyl-4-oxo-4H-pyran-3-yl)-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 135404-71-6
FORMULA C24H20O7
EXACTMASS 420.120902994
AVERAGEMASS 420.41139999999996
SMILES O(c24)C(=CC(c(c(c(c(c4)OC)C(C(=O)3)=COC(C)=C3OC)OC)2)=O)c(c1)cccc1
M END
