Mol:FL3FAIGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1030 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1030 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1030 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1030 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3481 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3481 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7991 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7991 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7991 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7991 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3481 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3481 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2502 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2502 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7013 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7013 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7013 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7013 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2502 0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2502 0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4219 -1.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4219 -1.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1522 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1522 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6119 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6119 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0716 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0716 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0716 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0716 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6119 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6119 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1522 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1522 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3481 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3481 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5558 0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5558 0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9376 1.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9376 1.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3120 0.1005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3120 0.1005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.7964 -0.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7964 -0.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0539 -0.2913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0539 -0.2913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.3374 -0.2836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.3374 -0.2836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8580 0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8580 0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6165 -0.0352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6165 -0.0352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8885 -0.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8885 -0.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6002 -0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6002 -0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6284 -1.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6284 -1.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5369 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5369 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0672 1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0672 1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9376 -0.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9376 -0.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8037 -0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8037 -0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7801 1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7801 1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0581 2.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0581 2.4300 0.0000 C 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 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 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 16 34 1 0 0 0 0 | + | 16 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 30 31 | + | M SAL 3 2 30 31 |
| − | M SBL 3 1 33 | + | M SBL 3 1 33 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 33 -2.7983 0.3632 | + | M SVB 3 33 -2.7983 0.3632 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 37 2.7801 1.4694 | + | M SVB 2 37 2.7801 1.4694 |
| − | 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 3.174 -0.1143 | + | M SVB 1 35 3.174 -0.1143 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAIGS0002 | + | ID FL3FAIGS0002 |
| − | KNApSAcK_ID C00004444 | + | KNApSAcK_ID C00004444 |
| − | NAME Tricin 7-glucoside | + | NAME Tricin 7-glucoside |
| − | CAS_RN 32769-01-0 | + | CAS_RN 32769-01-0 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(c(c(OC)3)O)OC)=CC2=O)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(c(c(OC)3)O)OC)=CC2=O)CO)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.1030 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1030 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7991 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7991 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2502 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7013 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7013 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2502 0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4219 -1.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1522 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0716 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0716 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1522 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5558 0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9376 1.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3120 0.1005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7964 -0.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0539 -0.2913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3374 -0.2836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8580 0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6165 -0.0352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8885 -0.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6002 -0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6284 -1.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5369 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0672 1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9376 -0.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8037 -0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7801 1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0581 2.4300 0.0000 C 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 15 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
24 19 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
14 32 1 0 0 0 0
32 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 30 31
M SBL 3 1 33
M SMT 3 CH2OH
M SVB 3 33 -2.7983 0.3632
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 37
M SMT 2 OCH3
M SVB 2 37 2.7801 1.4694
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 3.174 -0.1143
S SKP 8
ID FL3FAIGS0002
KNApSAcK_ID C00004444
NAME Tricin 7-glucoside
CAS_RN 32769-01-0
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(c(c(OC)3)O)OC)=CC2=O)CO)O)O
M END
