Mol:FL5F1CCS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7962 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7962 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7962 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7962 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 -1.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 -1.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 -1.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -1.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 -0.4112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -0.4112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 -0.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 -0.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 -0.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 -0.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2963 -0.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2963 -0.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 -2.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -2.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2963 0.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2963 0.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2963 -0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2963 -0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2699 1.7336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.2699 1.7336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.9271 1.5576 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.9271 1.5576 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.9271 0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9271 0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2770 0.2938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2770 0.2938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.6198 0.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.6198 0.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.6198 1.1502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.6198 1.1502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.7504 -0.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7504 -0.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1777 1.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1777 1.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3033 2.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3033 2.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5947 -1.5027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5947 -1.5027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4915 2.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4915 2.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8886 3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8886 3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 21 26 1 1 0 0 0 | + | 21 26 1 1 0 0 0 |
| − | 24 6 1 0 0 0 0 | + | 24 6 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 8 30 1 0 0 0 0 | + | 8 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 -0.4915 2.1441 | + | M SVB 1 34 -0.4915 2.1441 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CCS0001 | + | ID FL5F1CCS0001 |
| − | KNApSAcK_ID C00001039 | + | KNApSAcK_ID C00001039 |
| − | NAME Fisetin 8-C-glucoside;8-C-Glucosylfisetin | + | NAME Fisetin 8-C-glucoside;8-C-Glucosylfisetin |
| − | CAS_RN 108335-27-9 | + | CAS_RN 108335-27-9 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES [C@@H]([C@H](O)1)(c(c2O)c(O3)c(C(C(O)=C(c(c4)cc(c(O)c4)O)3)=O)cc2)OC(CO)[C@@H](O)[C@H]1O | + | SMILES [C@@H]([C@H](O)1)(c(c2O)c(O3)c(C(C(O)=C(c(c4)cc(c(O)c4)O)3)=O)cc2)OC(CO)[C@@H](O)[C@H]1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.7962 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7962 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 -1.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -0.4112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 -0.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 -0.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 -0.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -2.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 0.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 -0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2699 1.7336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9271 1.5576 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9271 0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2770 0.2938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6198 0.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6198 1.1502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7504 -0.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1777 1.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3033 2.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5947 -1.5027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4915 2.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8886 3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
21 26 1 1 0 0 0
24 6 1 0 0 0 0
25 27 1 0 0 0 0
26 28 1 0 0 0 0
21 29 1 0 0 0 0
8 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SVB 1 34 -0.4915 2.1441
S SKP 8
ID FL5F1CCS0001
KNApSAcK_ID C00001039
NAME Fisetin 8-C-glucoside;8-C-Glucosylfisetin
CAS_RN 108335-27-9
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES [C@@H]([C@H](O)1)(c(c2O)c(O3)c(C(C(O)=C(c(c4)cc(c(O)c4)O)3)=O)cc2)OC(CO)[C@@H](O)[C@H]1O
M END
