Mol:FL5FDCGS0010
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 |
| − | -0.5951 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5951 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5951 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5951 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0388 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0388 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5175 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5175 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5175 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5175 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0388 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0388 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0738 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0738 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6301 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6301 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6301 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6301 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0738 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0738 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0738 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0738 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1862 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1862 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7532 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7532 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3202 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3202 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3202 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3202 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7532 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7532 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1862 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1862 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1512 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1512 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8045 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8045 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7532 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7532 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2907 -0.0072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.2907 -0.0072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.9195 -0.4972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.9195 -0.4972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3850 -0.2893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3850 -0.2893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8692 -0.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8692 -0.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2440 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2440 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7116 -0.1557 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.7116 -0.1557 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8816 0.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8816 0.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2698 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2698 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0787 -0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0787 -0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9108 0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9108 0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8662 1.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8662 1.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4961 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4961 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3621 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3621 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4752 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4752 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2393 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2393 -1.7471 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 |
| − | 1 18 1 0 0 0 0 | + | 1 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 |
| − | 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 |
| − | 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 |
| − | 3 34 1 0 0 0 0 | + | 3 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 -2.9108 0.7192 | + | M SVB 3 33 -2.9108 0.7192 |
| − | 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 -0.4752 -1.3346 | + | M SVB 2 37 -0.4752 -1.3346 |
| − | 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 1.829 -1.0591 | + | M SVB 1 35 1.829 -1.0591 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDCGS0010 | + | ID FL5FDCGS0010 |
| − | KNApSAcK_ID C00005601 | + | KNApSAcK_ID C00005601 |
| − | NAME Caryatin 7-glucoside;Quercetin 3,5-dimethyl ether 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dimethoxy-4H-1-benzopyran-4-one | + | NAME Caryatin 7-glucoside;Quercetin 3,5-dimethyl ether 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 151590-52-2 | + | CAS_RN 151590-52-2 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES O(C)C(=C3c(c4)ccc(c4O)O)C(c(c(O3)2)c(OC)cc(c2)O[C@@H]([C@H]1O)OC(CO)[C@@H]([C@@H]1O)O)=O | + | SMILES O(C)C(=C3c(c4)ccc(c4O)O)C(c(c(O3)2)c(OC)cc(c2)O[C@@H]([C@H]1O)OC(CO)[C@@H]([C@@H]1O)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
-0.5951 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5951 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5175 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5175 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0738 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6301 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6301 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0738 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0738 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1862 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7532 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3202 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3202 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7532 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1862 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1512 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8045 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7532 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2907 -0.0072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9195 -0.4972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3850 -0.2893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8692 -0.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2440 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7116 -0.1557 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8816 0.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2698 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0787 -0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9108 0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8662 1.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4961 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3621 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4752 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2393 -1.7471 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
1 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
26 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
3 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 -2.9108 0.7192
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 -0.4752 -1.3346
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 1.829 -1.0591
S SKP 8
ID FL5FDCGS0010
KNApSAcK_ID C00005601
NAME Caryatin 7-glucoside;Quercetin 3,5-dimethyl ether 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 151590-52-2
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES O(C)C(=C3c(c4)ccc(c4O)O)C(c(c(O3)2)c(OC)cc(c2)O[C@@H]([C@H]1O)OC(CO)[C@@H]([C@@H]1O)O)=O
M END
