Mol:FL3FA8GS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5951 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5951 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5951 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5951 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1193 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1193 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8338 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8338 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8338 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8338 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1193 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1193 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5483 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5483 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2628 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2628 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2628 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2628 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5483 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5483 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9772 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9772 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6917 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6917 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4062 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4062 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4062 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4062 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6917 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6917 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9772 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9772 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5483 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5483 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1193 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1193 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3096 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3096 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9230 0.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9230 0.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5103 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5103 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7120 0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7120 0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9185 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9185 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3311 0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3311 0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1295 0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1295 0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2865 0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2865 0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7663 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7663 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4062 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4062 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9590 0.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9590 0.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8835 -0.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8835 -0.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6917 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6917 -0.5695 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA8GS0003 | + | ID FL3FA8GS0003 |
| − | KNApSAcK_ID C00013604 | + | KNApSAcK_ID C00013604 |
| − | NAME 5,7,2'-Trihydroxy 7-glucoside | + | NAME 5,7,2'-Trihydroxy 7-glucoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)(c(O)1)cccc1 | + | SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)(c(O)1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.5951 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5951 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1193 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8338 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8338 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1193 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5483 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2628 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2628 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5483 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9772 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6917 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4062 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4062 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6917 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9772 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5483 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1193 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3096 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9230 0.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5103 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7120 0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9185 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3311 0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1295 0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2865 0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7663 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4062 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9590 0.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8835 -0.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6917 -0.5695 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
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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 19 1 0 0 0 0
12 31 1 0 0 0 0
S SKP 8
ID FL3FA8GS0003
KNApSAcK_ID C00013604
NAME 5,7,2'-Trihydroxy 7-glucoside
CAS_RN -
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)(c(O)1)cccc1
M END
