Mol:FL5FACGS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0466 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0466 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0466 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0466 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4903 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4903 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0660 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0660 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0660 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0660 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4903 0.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4903 0.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6223 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6223 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1786 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1786 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1786 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1786 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6223 0.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6223 0.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6223 -0.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6223 -0.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7347 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7347 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3016 0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3016 0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8686 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8686 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8686 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8686 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3016 1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3016 1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7347 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7347 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6027 0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4903 -1.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4903 -1.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3529 1.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3529 1.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7347 -0.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7347 -0.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3016 2.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3016 2.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6730 -1.5640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.6730 -1.5640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.2676 -2.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2676 -2.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6838 -1.8721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.6838 -1.8721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0753 -1.8788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.0753 -1.8788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5298 -1.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5298 -1.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1261 -1.6707 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1261 -1.6707 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.3529 -1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3529 -1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8996 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8996 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3492 -2.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3492 -2.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3242 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3242 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2798 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2798 -0.5083 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 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 35 -2.3242 -0.803 | + | M SVB 1 35 -2.3242 -0.803 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0011 | + | ID FL5FACGS0011 |
| − | KNApSAcK_ID C00005379 | + | KNApSAcK_ID C00005379 |
| − | NAME Quercetin 5-glucoside | + | NAME Quercetin 5-glucoside |
| − | CAS_RN 34199-21-8 | + | CAS_RN 34199-21-8 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES [C@@H]([C@@H]1Oc(c32)cc(O)cc2OC(c(c4)cc(c(O)c4)O)=C(C3=O)O)(O)[C@@H](O)[C@@H](O)C(O1)CO | + | SMILES [C@@H]([C@@H]1Oc(c32)cc(O)cc2OC(c(c4)cc(c(O)c4)O)=C(C3=O)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/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.0466 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0466 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4903 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0660 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0660 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4903 0.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6223 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1786 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1786 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6223 0.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6223 -0.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7347 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3016 0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8686 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8686 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3016 1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7347 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4903 -1.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3529 1.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7347 -0.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3016 2.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6730 -1.5640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2676 -2.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6838 -1.8721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0753 -1.8788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5298 -1.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1261 -1.6707 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3529 -1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8996 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 -2.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3242 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2798 -0.5083 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
20 15 1 0 0 0 0
8 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 19 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SVB 1 35 -2.3242 -0.803
S SKP 8
ID FL5FACGS0011
KNApSAcK_ID C00005379
NAME Quercetin 5-glucoside
CAS_RN 34199-21-8
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES [C@@H]([C@@H]1Oc(c32)cc(O)cc2OC(c(c4)cc(c(O)c4)O)=C(C3=O)O)(O)[C@@H](O)[C@@H](O)C(O1)CO
M END
