Mol:FL5FEAGS0004
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 |
| − | -0.5179 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5179 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5179 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5179 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0384 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0384 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5947 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5947 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5947 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5947 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0384 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0384 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1510 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1510 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7073 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7073 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7073 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7073 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1510 0.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1510 0.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1510 -1.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1510 -1.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2634 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2634 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8304 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8304 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3973 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3973 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3973 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3973 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8304 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8304 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2634 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2634 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0740 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0740 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9642 1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9642 1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0384 -1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0384 -1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0740 -0.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0740 -0.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3867 0.2841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3867 0.2841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.9696 -0.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.9696 -0.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3689 -0.0329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3689 -0.0329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7893 -0.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7893 -0.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2104 0.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2104 0.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7360 0.1173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.7360 0.1173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.0509 0.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0509 0.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3633 -0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3633 -0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0247 -0.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0247 -0.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1057 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1057 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5376 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5376 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6997 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6997 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5275 1.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5275 1.1828 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 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 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 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 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 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 36 -2.4898 0.5593 | + | M SVB 2 36 -2.4898 0.5593 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 2.1057 -1.3574 | + | M SVB 1 34 2.1057 -1.3574 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEAGS0004 | + | ID FL5FEAGS0004 |
| − | KNApSAcK_ID C00005313 | + | KNApSAcK_ID C00005313 |
| − | NAME 6-Hydroxykaempferol 3-methyl ether 7-glucoside | + | NAME 6-Hydroxykaempferol 3-methyl ether 7-glucoside |
| − | CAS_RN 76060-26-9 | + | CAS_RN 76060-26-9 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES C(O4)(=C(C(c(c43)c(O)c(O)c(c3)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)=O)OC)c(c1)ccc(c1)O | + | SMILES C(O4)(=C(C(c(c43)c(O)c(O)c(c3)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)=O)OC)c(c1)ccc(c1)O |
M END | M END | ||
| − | |||
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
-0.5179 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5179 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5947 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5947 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 0.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 -1.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2634 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8304 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8304 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2634 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0740 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9642 1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 -1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0740 -0.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3867 0.2841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9696 -0.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3689 -0.0329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7893 -0.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2104 0.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7360 0.1173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.0509 0.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3633 -0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0247 -0.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1057 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5376 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6997 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5275 1.1828 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 15 1 0 0 0 0
3 20 1 0 0 0 0
2 21 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 18 1 0 0 0 0
8 31 1 0 0 0 0
31 32 1 0 0 0 0
27 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 -2.4898 0.5593
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 2.1057 -1.3574
S SKP 8
ID FL5FEAGS0004
KNApSAcK_ID C00005313
NAME 6-Hydroxykaempferol 3-methyl ether 7-glucoside
CAS_RN 76060-26-9
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES C(O4)(=C(C(c(c43)c(O)c(O)c(c3)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)=O)OC)c(c1)ccc(c1)O
M END
