Mol:FL5FAKGS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4456 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4456 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7311 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7311 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7311 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7311 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4456 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4456 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1600 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1600 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1600 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1600 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0166 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0166 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6979 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6979 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4123 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4123 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4123 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4123 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6978 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6978 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0166 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0166 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1268 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1268 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8413 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8413 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8413 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8413 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1268 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1268 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6978 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6978 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5557 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5557 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7922 -0.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7922 -0.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1268 -1.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1268 -1.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8745 2.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8745 2.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4456 3.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4456 3.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8379 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8379 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5557 1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5557 1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5023 0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5023 0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6800 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6800 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0186 -2.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0186 -2.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6322 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6322 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4508 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4508 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7894 -1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7894 -1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1385 -2.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1385 -2.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2371 -1.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2371 -1.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7873 -1.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7873 -1.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9331 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9331 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5331 -2.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5331 -2.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7274 -3.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7274 -3.0570 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 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 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 |
| − | 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 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAKGS0002 | + | ID FL5FAKGS0002 |
| − | KNApSAcK_ID C00013983 | + | KNApSAcK_ID C00013983 |
| − | NAME Myricetin 3',4'-dimethyl ether 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Myricetin 3',4'-dimethyl ether 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 244775-37-9 | + | CAS_RN 244775-37-9 |
| − | FORMULA C23H24O13 | + | FORMULA C23H24O13 |
| − | EXACTMASS 508.121690854 | + | EXACTMASS 508.121690854 |
| − | AVERAGEMASS 508.42886 | + | AVERAGEMASS 508.42886 |
| − | SMILES O(C(O4)C(O)C(C(C(CO)4)O)O)C(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)cc(O)c(OC)c1OC | + | SMILES O(C(O4)C(O)C(C(C(CO)4)O)O)C(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)cc(O)c(OC)c1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
1.4456 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7311 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7311 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4456 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1600 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1600 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0166 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6979 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4123 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4123 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6978 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0166 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1268 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8413 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8413 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1268 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6978 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5557 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7922 -0.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1268 -1.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8745 2.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4456 3.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8379 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5557 1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5023 0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6800 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0186 -2.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6322 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7894 -1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1385 -2.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2371 -1.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7873 -1.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9331 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5331 -2.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7274 -3.0570 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
6 23 1 0 0 0 0
21 24 1 0 0 0 0
23 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 19 1 0 0 0 0
S SKP 8
ID FL5FAKGS0002
KNApSAcK_ID C00013983
NAME Myricetin 3',4'-dimethyl ether 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 244775-37-9
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES O(C(O4)C(O)C(C(C(CO)4)O)O)C(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)cc(O)c(OC)c1OC
M END
