Mol:FL3FACGS0002
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 |
| − | -0.5754 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5754 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5754 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5754 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1244 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1244 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3267 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3267 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3267 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3267 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1244 0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1244 0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7777 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7777 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2288 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2288 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2288 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2288 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7777 0.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7777 0.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9493 -0.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9493 -0.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6797 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6797 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1394 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1394 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5991 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5991 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5991 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5991 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1394 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1394 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6797 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6797 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0949 0.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0949 0.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1244 -0.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1244 -0.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3450 -0.9884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.3450 -0.9884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.8294 -1.6690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8294 -1.6690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0869 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.0869 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.3704 -1.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.3704 -1.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.8910 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8910 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5406 -1.1946 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.5406 -1.1946 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.0588 -1.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0588 -1.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6332 -1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6332 -1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6614 -2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6614 -2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1394 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1394 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0588 1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0588 1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7439 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7439 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6987 0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6987 0.0038 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 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 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 SVB 1 34 -1.7439 -0.2934 | + | M SVB 1 34 -1.7439 -0.2934 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0002 | + | ID FL3FACGS0002 |
| − | KNApSAcK_ID C00004261 | + | KNApSAcK_ID C00004261 |
| − | NAME Luteolin 5-glucoside | + | NAME Luteolin 5-glucoside |
| − | CAS_RN 20344-46-1 | + | CAS_RN 20344-46-1 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cc(c(O)c2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO | + | SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cc(c(O)c2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO |
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
-0.5754 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5754 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1244 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3267 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3267 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1244 0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7777 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2288 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2288 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7777 0.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9493 -0.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6797 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1394 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5991 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5991 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1394 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6797 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0949 0.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1244 -0.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3450 -0.9884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8294 -1.6690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0869 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3704 -1.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8910 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5406 -1.1946 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0588 -1.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6332 -1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6614 -2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1394 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0588 1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7439 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6987 0.0038 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
16 29 1 0 0 0 0
15 30 1 0 0 0 0
25 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 SVB 1 34 -1.7439 -0.2934
S SKP 8
ID FL3FACGS0002
KNApSAcK_ID C00004261
NAME Luteolin 5-glucoside
CAS_RN 20344-46-1
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cc(c(O)c2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO
M END
