Mol:FL5FDCGS0011
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 |
| − | -1.2035 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2035 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2035 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2035 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6472 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6472 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0909 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0909 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0909 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0909 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6472 0.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6472 0.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4654 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4654 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0217 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0217 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0217 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0217 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4654 0.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4654 0.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4654 -1.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4654 -1.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5778 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5778 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1448 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1448 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7117 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7117 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7117 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7117 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1448 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1448 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5778 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5778 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6472 -1.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6472 -1.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1961 1.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1961 1.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1448 2.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1448 2.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6822 -1.5206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.6822 -1.5206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.3110 -2.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3110 -2.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7765 -1.8027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7765 -1.8027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.2608 -1.7972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2608 -1.7972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6356 -1.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6356 -1.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1032 -1.6691 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1032 -1.6691 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.2732 -1.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2732 -1.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6615 -2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6615 -2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4703 -2.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4703 -2.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5607 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5607 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0606 1.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0606 1.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8877 -0.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8877 -0.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7538 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7538 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3023 -0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3023 -0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2577 -0.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2577 -0.4988 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 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 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 8 32 1 0 0 0 0 | + | 8 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 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 34 35 | + | M SAL 3 2 34 35 |
| − | M SBL 3 1 37 | + | M SBL 3 1 37 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 37 -2.3023 -0.7942 | + | M SVB 3 37 -2.3023 -0.7942 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 1.2206 -0.4894 | + | M SVB 2 35 1.2206 -0.4894 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -1.5607 0.978 | + | M SVB 1 33 -1.5607 0.978 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDCGS0011 | + | ID FL5FDCGS0011 |
| − | KNApSAcK_ID C00005602 | + | KNApSAcK_ID C00005602 |
| − | NAME Quercetin 3,7-dimethyl ether 5-glucoside | + | NAME Quercetin 3,7-dimethyl ether 5-glucoside |
| − | CAS_RN 128388-46-5 | + | CAS_RN 128388-46-5 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES c(c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)1)c(cc(O2)c1C(=O)C(OC)=C2c(c3)ccc(c3O)O)OC | + | SMILES c(c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)1)c(cc(O2)c1C(=O)C(OC)=C2c(c3)ccc(c3O)O)OC |
M END | M END | ||
| − | |||
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
-1.2035 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2035 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6472 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0909 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0909 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6472 0.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4654 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0217 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0217 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4654 0.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4654 -1.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5778 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1448 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7117 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7117 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1448 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5778 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6472 -1.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1961 1.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1448 2.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6822 -1.5206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3110 -2.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7765 -1.8027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2608 -1.7972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6356 -1.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1032 -1.6691 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2732 -1.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6615 -2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4703 -2.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5607 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0606 1.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8877 -0.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7538 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3023 -0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2577 -0.4988 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
3 18 1 0 0 0 0
19 15 1 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
24 18 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
8 32 1 0 0 0 0
32 33 1 0 0 0 0
26 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 34 35
M SBL 3 1 37
M SMT 3 CH2OH
M SVB 3 37 -2.3023 -0.7942
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 1.2206 -0.4894
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.5607 0.978
S SKP 8
ID FL5FDCGS0011
KNApSAcK_ID C00005602
NAME Quercetin 3,7-dimethyl ether 5-glucoside
CAS_RN 128388-46-5
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES c(c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)1)c(cc(O2)c1C(=O)C(OC)=C2c(c3)ccc(c3O)O)OC
M END
