Mol:FL5FDFGS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7516 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7516 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0372 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0372 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0372 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0372 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7516 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7516 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4661 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4661 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4661 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4661 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3227 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3227 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3918 1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3918 1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1062 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1062 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1062 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1062 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3918 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3918 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3227 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3227 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8207 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8207 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5352 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5352 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5352 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5352 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8207 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8207 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3918 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3918 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2497 1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2497 1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0372 -0.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0372 -0.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8207 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8207 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1806 2.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1806 2.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7516 3.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7516 3.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8939 1.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8939 1.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0372 3.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0372 3.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5352 -1.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5352 -1.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8939 0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8939 0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0126 -3.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0126 -3.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8217 -2.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8217 -2.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8789 -2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8789 -2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3476 -1.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3476 -1.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5384 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5384 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4812 -2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4812 -2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1678 -2.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1678 -2.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5840 -2.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5840 -2.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4280 -3.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4280 -3.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3253 -3.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3253 -3.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5332 -2.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5332 -2.0900 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 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 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 30 19 1 0 0 0 0 | + | 30 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDFGS0001 | + | ID FL5FDFGS0001 |
| − | KNApSAcK_ID C00013940 | + | KNApSAcK_ID C00013940 |
| − | NAME Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside;2-(3,4-Dimethoxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside;2-(3,4-Dimethoxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 196942-96-8 | + | CAS_RN 196942-96-8 |
| − | FORMULA C25H28O12 | + | FORMULA C25H28O12 |
| − | EXACTMASS 520.15807636 | + | EXACTMASS 520.15807636 |
| − | AVERAGEMASS 520.48262 | + | AVERAGEMASS 520.48262 |
| − | SMILES OC(C1OC(=C2c(c4)cc(OC)c(OC)c4)C(c(c(OC)3)c(cc(OC)c3)O2)=O)C(C(O)C(CO)O1)O | + | SMILES OC(C1OC(=C2c(c4)cc(OC)c(OC)c4)C(c(c(OC)3)c(cc(OC)c3)O2)=O)C(C(O)C(CO)O1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
1.7516 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7516 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4661 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4661 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3918 1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3918 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8207 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8207 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3918 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2497 1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 -0.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8207 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1806 2.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7516 3.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8939 1.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 3.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 -1.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8939 0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0126 -3.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 -2.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8789 -2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3476 -1.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5384 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4812 -2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1678 -2.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5840 -2.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4280 -3.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3253 -3.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5332 -2.0900 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
21 23 1 0 0 0 0
22 24 1 0 0 0 0
20 25 1 0 0 0 0
18 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
30 19 1 0 0 0 0
S SKP 8
ID FL5FDFGS0001
KNApSAcK_ID C00013940
NAME Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside;2-(3,4-Dimethoxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 196942-96-8
FORMULA C25H28O12
EXACTMASS 520.15807636
AVERAGEMASS 520.48262
SMILES OC(C1OC(=C2c(c4)cc(OC)c(OC)c4)C(c(c(OC)3)c(cc(OC)c3)O2)=O)C(C(O)C(CO)O1)O
M END
