Mol:FL1A3CGS0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 44 0 0 0 0 0 0 0 0999 V2000 | + | 41 44 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.5999 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5999 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5999 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5999 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0806 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0806 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4386 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4386 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4386 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4386 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0806 -1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0806 -1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1701 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1701 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5225 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5225 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1701 -0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1701 -0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9578 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9578 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9642 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9642 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8481 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8481 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1484 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1484 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7489 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7489 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0492 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0492 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7489 -0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7489 -0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1484 -0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1484 -0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6487 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6487 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3144 -1.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3144 -1.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0487 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0487 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1174 -0.0105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1174 -0.0105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.7462 -0.5004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7462 -0.5004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2117 -0.2926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2117 -0.2926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6959 -0.2870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.6959 -0.2870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0707 0.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0707 0.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5383 -0.1590 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.5383 -0.1590 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.7083 0.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7083 0.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0965 -0.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0965 -0.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9054 -0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9054 -0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1978 0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1978 0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0806 0.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0806 0.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2571 0.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2571 0.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4908 1.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4908 1.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0550 1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0550 1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1357 1.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1357 1.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3874 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3874 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5958 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5958 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8015 -0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8015 -0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9054 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9054 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4851 -1.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4851 -1.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5029 -1.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5029 -1.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 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 |
| − | 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 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 24 10 1 0 0 0 0 | + | 24 10 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
| − | 27 36 1 0 0 0 0 | + | 27 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 29 39 1 0 0 0 0 | + | 29 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1A3CGS0005 | + | ID FL1A3CGS0005 |
| − | KNApSAcK_ID C00008054 | + | KNApSAcK_ID C00008054 |
| − | NAME 6,7,3',4'-Tetrahydroxyaurone 6-(2'',4'',6''-triacetylglucoside) | + | NAME 6,7,3',4'-Tetrahydroxyaurone 6-(2'',4'',6''-triacetylglucoside) |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C27H26O14 | + | FORMULA C27H26O14 |
| − | EXACTMASS 574.13225554 | + | EXACTMASS 574.13225554 |
| − | AVERAGEMASS 574.48694 | + | AVERAGEMASS 574.48694 |
| − | SMILES O(C(C)=O)CC([C@@H]1OC(C)=O)O[C@@H](Oc(c4)c(O)c(c(c4)2)oc(=Cc(c3)cc(c(O)c3)O)c2=O)[C@H]([C@@H](O)1)OC(C)=O | + | SMILES O(C(C)=O)CC([C@@H]1OC(C)=O)O[C@@H](Oc(c4)c(O)c(c(c4)2)oc(=Cc(c3)cc(c(O)c3)O)c2=O)[C@H]([C@@H](O)1)OC(C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 44 0 0 0 0 0 0 0 0999 V2000
0.5999 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5999 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0806 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4386 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4386 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0806 -1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1701 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5225 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1701 -0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9578 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9642 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8481 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1484 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7489 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0492 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7489 -0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1484 -0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6487 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3144 -1.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0487 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1174 -0.0105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7462 -0.5004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2117 -0.2926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6959 -0.2870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0707 0.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5383 -0.1590 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7083 0.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0965 -0.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 -0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1978 0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0806 0.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2571 0.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 1.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0550 1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1357 1.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3874 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5958 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8015 -0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4851 -1.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 -1.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
24 10 1 0 0 0 0
3 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
27 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
29 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
S SKP 8
ID FL1A3CGS0005
KNApSAcK_ID C00008054
NAME 6,7,3',4'-Tetrahydroxyaurone 6-(2'',4'',6''-triacetylglucoside)
CAS_RN -
FORMULA C27H26O14
EXACTMASS 574.13225554
AVERAGEMASS 574.48694
SMILES O(C(C)=O)CC([C@@H]1OC(C)=O)O[C@@H](Oc(c4)c(O)c(c(c4)2)oc(=Cc(c3)cc(c(O)c3)O)c2=O)[C@H]([C@@H](O)1)OC(C)=O
M END
