Mol:FL5FAAGL0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8642 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8642 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8642 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8642 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3079 -0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3079 -0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7516 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7516 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7516 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7516 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3079 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3079 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1953 -0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1953 -0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6390 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6390 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6390 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6390 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1953 0.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1953 0.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1953 -1.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1953 -1.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0829 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0829 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4841 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4841 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0511 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0511 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0511 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0511 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4841 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4841 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0829 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0829 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4203 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4203 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3079 -1.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3079 -1.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0091 -0.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0091 -0.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0546 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0546 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6669 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6669 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4124 -0.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4124 -0.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1623 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1623 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5501 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5501 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8046 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8046 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3275 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3275 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0691 -0.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0691 -0.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4203 -0.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4203 -0.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6179 1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6179 1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6729 -1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6729 -1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3873 -1.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3873 -1.5310 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 -4.7627 5.7198 | + | M SBV 1 34 -4.7627 5.7198 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGL0001 | + | ID FL5FAAGL0001 |
| − | KNApSAcK_ID C00005138 | + | KNApSAcK_ID C00005138 |
| − | NAME Astragalin;Kaempferol 3-O-beta-D-glucoside;Kaempferol 3-glucoside | + | NAME Astragalin;Kaempferol 3-O-beta-D-glucoside;Kaempferol 3-glucoside |
| − | CAS_RN 480-10-4 | + | CAS_RN 480-10-4 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.8642 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8642 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3079 -0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7516 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7516 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3079 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1953 -0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1953 0.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1953 -1.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0829 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4841 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0511 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0511 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4841 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0829 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4203 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3079 -1.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0091 -0.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0546 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6669 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4124 -0.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1623 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5501 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8046 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3275 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0691 -0.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -0.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6179 1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6729 -1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3873 -1.5310 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
3 19 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
20 8 1 0 0 0 0
24 23 1 1 0 0 0
15 30 1 0 0 0 0
24 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -4.7627 5.7198
S SKP 8
ID FL5FAAGL0001
KNApSAcK_ID C00005138
NAME Astragalin;Kaempferol 3-O-beta-D-glucoside;Kaempferol 3-glucoside
CAS_RN 480-10-4
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O
M END
