Mol:FL5FDEGS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | 2.9474 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9474 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2330 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2330 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2330 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2330 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9474 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9474 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6619 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6619 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6619 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6619 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5185 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5185 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8040 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8040 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0895 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0895 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0895 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0895 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8040 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8040 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5185 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5185 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6249 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6249 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3394 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3394 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3394 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3394 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6249 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6249 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8040 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8040 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0539 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0539 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2330 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2330 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6249 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6249 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3764 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3764 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9474 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9474 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9462 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9462 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0897 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0897 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6064 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6064 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1938 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1938 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3955 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3955 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6020 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6020 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0146 0.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0146 0.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8130 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8130 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9699 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9699 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4498 0.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4498 0.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0897 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0897 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6425 -0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6425 -0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5670 -0.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5670 -0.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDEGS0001 | + | ID FL5FDEGS0001 |
| − | KNApSAcK_ID C00013931 | + | KNApSAcK_ID C00013931 |
| − | NAME Quercetin 3,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one | + | NAME Quercetin 3,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 70324-45-7 | + | CAS_RN 70324-45-7 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES C(C1O)(C(C(OC1Oc(c2)cc(O3)c(C(C(=C3c(c4)cc(c(c4)OC)O)OC)=O)c(O)2)CO)O)O | + | SMILES C(C1O)(C(C(OC1Oc(c2)cc(O3)c(C(C(=C3c(c4)cc(c(c4)OC)O)OC)=O)c(O)2)CO)O)O |
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
2.9474 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2330 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2330 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9474 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6619 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6619 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5185 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8040 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0895 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0895 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8040 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5185 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6249 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3394 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3394 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6249 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8040 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0539 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2330 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6249 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3764 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9474 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9462 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0897 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6064 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1938 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3955 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6020 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0146 0.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8130 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9699 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4498 0.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0897 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6425 -0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5670 -0.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
19 23 1 0 0 0 0
21 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 18 1 0 0 0 0
S SKP 8
ID FL5FDEGS0001
KNApSAcK_ID C00013931
NAME Quercetin 3,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
CAS_RN 70324-45-7
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES C(C1O)(C(C(OC1Oc(c2)cc(O3)c(C(C(=C3c(c4)cc(c(c4)OC)O)OC)=O)c(O)2)CO)O)O
M END
