Mol:FL3FE9GS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6053 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6053 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0272 1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0272 1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2469 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2469 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1660 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1660 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7985 2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7985 2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0182 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0182 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0537 3.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0537 3.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3592 3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3592 3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9917 3.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9917 3.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2114 2.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2114 2.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5469 3.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5469 3.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4045 4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4045 4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1806 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1806 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6014 5.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6014 5.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2462 5.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2462 5.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4700 4.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4700 4.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0493 3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0493 3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8250 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8250 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2610 0.2199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.2610 0.2199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.7454 -0.4608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7454 -0.4608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0029 -0.1720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0029 -0.1720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.2865 -0.1643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2865 -0.1643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8071 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8071 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4567 0.0136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4567 0.0136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9748 -0.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9748 -0.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5492 -0.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5492 -0.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5775 -0.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5775 -0.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0613 0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0613 0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1084 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1084 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2318 2.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2318 2.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2166 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2166 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6535 0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6535 0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6093 1.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6093 1.1676 0.0000 O 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 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 2 28 1 0 0 0 0 | + | 2 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 3 2 32 33 |
| − | M SBL 3 1 35 | + | M SBL 3 1 35 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 35 -2.6535 0.8734 | + | M SVB 3 35 -2.6535 0.8734 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 0.1795 -1.0073 | + | M SVB 2 33 0.1795 -1.0073 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -0.6549 -0.4342 | + | M SVB 1 31 -0.6549 -0.4342 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FE9GS0008 | + | ID FL3FE9GS0008 |
| − | KNApSAcK_ID C00004126 | + | KNApSAcK_ID C00004126 |
| − | NAME 7-Hydroxy-5,6-dimethoxyflavone 7-glucoside | + | NAME 7-Hydroxy-5,6-dimethoxyflavone 7-glucoside |
| − | CAS_RN 79198-77-9 | + | CAS_RN 79198-77-9 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES c(c4)(cccc4)C(=C3)Oc(c(C(=O)3)2)cc(c(c(OC)2)OC)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O | + | SMILES c(c4)(cccc4)C(=C3)Oc(c(C(=O)3)2)cc(c(c(OC)2)OC)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.6053 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0272 1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2469 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1660 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7985 2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0182 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0537 3.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3592 3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9917 3.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2114 2.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5469 3.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4045 4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6014 5.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2462 5.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4700 4.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0493 3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8250 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2610 0.2199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7454 -0.4608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0029 -0.1720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2865 -0.1643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8071 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4567 0.0136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9748 -0.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5492 -0.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5775 -0.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0613 0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1084 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 2.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2166 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6535 0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6093 1.1676 0.0000 O 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
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
2 28 1 0 0 0 0
28 29 1 0 0 0 0
3 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 32 33
M SBL 3 1 35
M SMT 3 CH2OH
M SVB 3 35 -2.6535 0.8734
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 0.1795 -1.0073
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -0.6549 -0.4342
S SKP 8
ID FL3FE9GS0008
KNApSAcK_ID C00004126
NAME 7-Hydroxy-5,6-dimethoxyflavone 7-glucoside
CAS_RN 79198-77-9
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES c(c4)(cccc4)C(=C3)Oc(c(C(=O)3)2)cc(c(c(OC)2)OC)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
