Mol:FL5F1CCS0001
From Metabolomics.JP
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
