Mol:FL5FEAGS0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.6667 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6667 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6667 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6667 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3812 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3812 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0957 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0957 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0957 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0957 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3812 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3812 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2378 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2378 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5233 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5233 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5233 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5233 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2378 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2378 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1912 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1912 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9056 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9056 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9056 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9056 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1912 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1912 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2378 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2378 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6201 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6201 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6299 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6299 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6964 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6964 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1912 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1912 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5718 -1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5718 -1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2786 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2786 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8660 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8660 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0676 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0676 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2741 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2741 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6867 0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6867 0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4851 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4851 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6711 1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6711 1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2140 1.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2140 1.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6964 0.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6964 0.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1272 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1272 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9143 -0.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9143 -0.3473 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 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 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 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEAGS0020 | + | ID FL5FEAGS0020 |
| − | KNApSAcK_ID C00013823 | + | KNApSAcK_ID C00013823 |
| − | NAME 6-Hydroxykaempferol 7-alloside;7-(beta-D-Allopyranosyloxy)-3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME 6-Hydroxykaempferol 7-alloside;7-(beta-D-Allopyranosyloxy)-3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 205496-87-3 | + | CAS_RN 205496-87-3 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES C(C1Oc(c4O)cc(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c4O)cc(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
2.6667 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3812 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0957 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0957 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3812 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2378 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5233 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5233 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2378 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1912 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9056 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9056 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1912 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2378 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6201 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6299 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6964 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1912 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5718 -1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2786 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8660 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0676 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2741 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6867 0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4851 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6711 1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2140 1.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6964 0.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1272 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9143 -0.3473 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
5 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
18 26 1 0 0 0 0
S SKP 8
ID FL5FEAGS0020
KNApSAcK_ID C00013823
NAME 6-Hydroxykaempferol 7-alloside;7-(beta-D-Allopyranosyloxy)-3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 205496-87-3
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(C1Oc(c4O)cc(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO
M END
