Mol:FL3FEGGS0002
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 |
| − | -0.7495 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7495 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7495 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7495 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2984 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2984 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1527 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1527 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1527 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1527 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2984 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2984 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6037 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6037 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0548 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0548 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0548 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0548 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6037 0.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6037 0.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6037 -0.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6037 -0.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5057 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5057 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9654 0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9654 0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4251 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4251 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4251 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4251 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9654 1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9654 1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5057 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5057 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2107 0.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2107 0.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2984 -0.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2984 -0.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5013 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5013 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0156 -2.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0156 -2.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4188 -1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4188 -1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7321 -1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7321 -1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2177 -1.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2177 -1.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8145 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8145 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8848 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8848 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5228 -2.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5228 -2.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0425 -2.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0425 -2.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1238 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1238 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8848 1.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8848 1.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9654 2.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9654 2.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8848 0.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8848 0.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9518 -1.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9518 -1.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7487 -0.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7487 -0.9111 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 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 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 36 -6.9072 4.4137 | + | M SBV 1 36 -6.9072 4.4137 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEGGS0002 | + | ID FL3FEGGS0002 |
| − | KNApSAcK_ID C00004529 | + | KNApSAcK_ID C00004529 |
| − | NAME 6-Hydroxytricetin 5-glucoside | + | NAME 6-Hydroxytricetin 5-glucoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H20O13 | + | FORMULA C21H20O13 |
| − | EXACTMASS 480.090390726 | + | EXACTMASS 480.090390726 |
| − | AVERAGEMASS 480.37569999999994 | + | AVERAGEMASS 480.37569999999994 |
| − | SMILES C(C1Oc(c32)c(O)c(O)cc2OC(c(c4)cc(O)c(O)c(O)4)=CC3=O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c32)c(O)c(O)cc2OC(c(c4)cc(O)c(O)c(O)4)=CC3=O)(O)C(O)C(O)C(O1)CO |
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
-0.7495 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7495 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2984 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1527 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1527 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2984 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6037 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0548 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0548 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6037 0.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6037 -0.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5057 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9654 0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4251 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4251 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9654 1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5057 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2107 0.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2984 -0.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5013 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0156 -2.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4188 -1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7321 -1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2177 -1.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8145 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8848 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5228 -2.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0425 -2.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1238 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8848 1.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9654 2.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8848 0.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9518 -1.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7487 -0.9111 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
18 1 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
2 29 1 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
14 32 1 0 0 0 0
25 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 ^CH2OH
M SBV 1 36 -6.9072 4.4137
S SKP 8
ID FL3FEGGS0002
KNApSAcK_ID C00004529
NAME 6-Hydroxytricetin 5-glucoside
CAS_RN -
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES C(C1Oc(c32)c(O)c(O)cc2OC(c(c4)cc(O)c(O)c(O)4)=CC3=O)(O)C(O)C(O)C(O1)CO
M END
