Mol:FL2FAFGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8472 0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8472 0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8472 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8472 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2909 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2909 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7346 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7346 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7346 0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7346 0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2909 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2909 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1783 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1783 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3780 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3780 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3780 0.3521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3780 0.3521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1783 0.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1783 0.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9341 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9341 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5011 0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5011 0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0681 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0681 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0681 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0681 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5011 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5011 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9341 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9341 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1783 -1.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1783 -1.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4033 0.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4033 0.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2909 -1.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2909 -1.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9622 -1.5046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.9622 -1.5046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6160 -1.9617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6160 -1.9617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1174 -1.7678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1174 -1.7678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5977 -1.7735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5977 -1.7735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9859 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9859 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4952 -1.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4952 -1.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.4074 -1.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4074 -1.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9429 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9429 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8317 -2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8317 -2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8122 2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8122 2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2773 3.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2773 3.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7648 -0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7648 -0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7506 -0.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7506 -0.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0681 1.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0681 1.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0681 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0681 1.3279 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 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 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 14 33 1 0 0 0 0 | + | 14 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 -2.7648 -0.8687 | + | M SVB 3 34 -2.7648 -0.8687 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 2.6349 1.6551 | + | M SVB 2 36 2.6349 1.6551 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 1.8122 2.2473 | + | M SVB 1 32 1.8122 2.2473 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAFGS0001 | + | ID FL2FAFGS0001 |
| − | KNApSAcK_ID C00008302 | + | KNApSAcK_ID C00008302 |
| − | NAME Eriodictyol 3',4'-dimethyl ether 5-O-glucoside | + | NAME Eriodictyol 3',4'-dimethyl ether 5-O-glucoside |
| − | CAS_RN 70863-87-5 | + | CAS_RN 70863-87-5 |
| − | FORMULA C23H26O11 | + | FORMULA C23H26O11 |
| − | EXACTMASS 478.147511674 | + | EXACTMASS 478.147511674 |
| − | AVERAGEMASS 478.44594 | + | AVERAGEMASS 478.44594 |
| − | SMILES C(C(=O)2)C(Oc(c4)c2c(cc4O)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)c(c1)cc(c(c1)OC)OC | + | SMILES C(C(=O)2)C(Oc(c4)c2c(cc4O)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)c(c1)cc(c(c1)OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.8472 0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8472 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2909 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7346 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7346 0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2909 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1783 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3780 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3780 0.3521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1783 0.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9341 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5011 0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0681 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0681 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5011 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9341 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1783 -1.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4033 0.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2909 -1.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9622 -1.5046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6160 -1.9617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1174 -1.7678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5977 -1.7735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9859 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4952 -1.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4074 -1.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9429 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8317 -2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8122 2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2773 3.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7648 -0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7506 -0.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0681 1.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0681 1.3279 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
15 29 1 0 0 0 0
29 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
14 33 1 0 0 0 0
33 34 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 -2.7648 -0.8687
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 2.6349 1.6551
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 1.8122 2.2473
S SKP 8
ID FL2FAFGS0001
KNApSAcK_ID C00008302
NAME Eriodictyol 3',4'-dimethyl ether 5-O-glucoside
CAS_RN 70863-87-5
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES C(C(=O)2)C(Oc(c4)c2c(cc4O)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)c(c1)cc(c(c1)OC)OC
M END
