Mol:FL5FEAGL0001
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 |
| − | 0.0658 -4.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0658 -4.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6985 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6985 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9182 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9182 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5053 -3.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5053 -3.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1274 -3.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1274 -3.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3470 -4.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3470 -4.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7250 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7250 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3121 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3121 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3206 -2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3206 -2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5402 -3.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5402 -3.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2181 -2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2181 -2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7333 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7333 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5094 -1.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5094 -1.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9302 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9302 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5749 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5749 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7989 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7989 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3780 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3780 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1537 -5.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1537 -5.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7414 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7414 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1922 -0.4910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.1922 -0.4910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8045 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.8045 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.5500 -0.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5500 -0.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3000 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.3000 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.6877 -0.4910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6877 -0.4910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.9422 -0.7040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.9422 -0.7040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.4651 -0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4651 -0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2442 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2442 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2827 -0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2827 -0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9957 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9957 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1113 -5.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1113 -5.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5504 -4.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5504 -4.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1459 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1459 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2758 -2.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2758 -2.5049 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 35 3.1459 -1.5134 | + | M SVB 1 35 3.1459 -1.5134 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEAGL0001 | + | ID FL5FEAGL0001 |
| − | KNApSAcK_ID C00005306 | + | KNApSAcK_ID C00005306 |
| − | NAME 6-Hydroxykaempferol 3-glucoside | + | NAME 6-Hydroxykaempferol 3-glucoside |
| − | CAS_RN 145134-61-8 | + | CAS_RN 145134-61-8 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES O(C(C4=O)=C(Oc(c34)cc(O)c(c3O)O)c(c2)ccc(O)c2)[C@@H](C(O)1)O[C@H](CO)[C@H](O)C1O | + | SMILES O(C(C4=O)=C(Oc(c34)cc(O)c(c3O)O)c(c2)ccc(O)c2)[C@@H](C(O)1)O[C@H](CO)[C@H](O)C1O |
M END | M END | ||
| − | |||
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
0.0658 -4.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6985 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9182 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5053 -3.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1274 -3.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -4.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7250 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3121 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3206 -2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5402 -3.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2181 -2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7333 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5094 -1.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9302 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5749 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7989 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3780 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1537 -5.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7414 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1922 -0.4910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8045 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5500 -0.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3000 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6877 -0.4910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9422 -0.7040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4651 -0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2442 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2827 -0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9957 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1113 -5.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5504 -4.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1459 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2758 -2.5049 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
2 30 1 0 0 0 0
3 31 1 0 0 0 0
23 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SVB 1 35 3.1459 -1.5134
S SKP 8
ID FL5FEAGL0001
KNApSAcK_ID C00005306
NAME 6-Hydroxykaempferol 3-glucoside
CAS_RN 145134-61-8
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES O(C(C4=O)=C(Oc(c34)cc(O)c(c3O)O)c(c2)ccc(O)c2)[C@@H](C(O)1)O[C@H](CO)[C@H](O)C1O
M END
