Mol:FL3FGCGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2873 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2873 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1433 -1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1433 -1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6328 -1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6328 -1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7233 -0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7233 -0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3242 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3242 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1652 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1652 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2126 -0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2126 -0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3031 -0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3031 -0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9041 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9041 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4146 0.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4146 0.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6048 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6048 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9945 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9945 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4933 0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4933 0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5855 1.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5855 1.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1789 1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1789 1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6801 1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6801 1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5879 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5879 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0309 -1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0309 -1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6083 -0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6083 -0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2239 2.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2239 2.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1716 1.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1716 1.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9170 2.0516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.9170 2.0516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.2486 1.2648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2486 1.2648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6273 0.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.6273 0.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.2624 0.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2624 0.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6868 1.3814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.6868 1.3814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.4935 2.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4935 2.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6844 1.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6844 1.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0331 0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0331 0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0760 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0760 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3348 2.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3348 2.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0003 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0003 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9754 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9754 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4170 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4170 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1883 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1883 -2.5629 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 2 35 1 0 0 0 0 | + | 2 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 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 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 34 | + | M SBL 3 1 34 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 34 -1.076 1.9922 | + | M SVB 3 34 -1.076 1.9922 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 35 36 | + | M SAL 2 2 35 36 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 38 -1.7738 -1.4723 | + | M SVB 2 38 -1.7738 -1.4723 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 -1.4004 -0.3954 | + | M SVB 1 36 -1.4004 -0.3954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGCGS0003 | + | ID FL3FGCGS0003 |
| − | KNApSAcK_ID C00004439 | + | KNApSAcK_ID C00004439 |
| − | NAME 5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone 8-glucoside | + | NAME 5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone 8-glucoside |
| − | CAS_RN 93290-68-7 | + | CAS_RN 93290-68-7 |
| − | FORMULA C23H24O13 | + | FORMULA C23H24O13 |
| − | EXACTMASS 508.121690854 | + | EXACTMASS 508.121690854 |
| − | AVERAGEMASS 508.42886 | + | AVERAGEMASS 508.42886 |
| − | SMILES O(C)c(c(OC)3)c(O)c(c2c3O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)C(=O)C=C(O2)c(c1)ccc(c1O)O | + | SMILES O(C)c(c(OC)3)c(O)c(c2c3O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)C(=O)C=C(O2)c(c1)ccc(c1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.2873 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1433 -1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6328 -1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7233 -0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3242 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1652 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 -0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3031 -0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9041 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4146 0.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6048 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9945 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4933 0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5855 1.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1789 1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6801 1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5879 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0309 -1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6083 -0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2239 2.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1716 1.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9170 2.0516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2486 1.2648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6273 0.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2624 0.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0717 0.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6868 1.3814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4935 2.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6844 1.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0331 0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0760 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3348 2.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0003 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9754 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4170 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1883 -2.5629 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
3 18 1 0 0 0 0
6 19 1 0 0 0 0
20 15 1 0 0 0 0
21 16 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
1 33 1 0 0 0 0
33 34 1 0 0 0 0
2 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 34
M SMT 3 CH2OH
M SVB 3 34 -1.076 1.9922
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 38
M SMT 2 OCH3
M SVB 2 38 -1.7738 -1.4723
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 -1.4004 -0.3954
S SKP 8
ID FL3FGCGS0003
KNApSAcK_ID C00004439
NAME 5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone 8-glucoside
CAS_RN 93290-68-7
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES O(C)c(c(OC)3)c(O)c(c2c3O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)C(=O)C=C(O2)c(c1)ccc(c1O)O
M END
