Mol:FL3FF8GS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.3456 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3456 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1054 -0.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5565 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5565 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1054 0.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0076 -0.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4586 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4586 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0076 0.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1793 -0.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9095 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3693 0.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8290 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8290 1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3693 1.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9095 1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1054 -0.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1152 -0.8997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5995 -1.5803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8570 -1.2915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1406 -1.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6612 -0.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3108 -1.1059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.8290 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4034 -1.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4316 -2.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7029 1.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2029 2.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3305 1.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7137 2.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5523 2.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0523 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5140 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4688 0.0926 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
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
17 32 1 0 0 0 0
32 33 1 0 0 0 0
24 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 34 35
M SBL 4 1 37
M SMT 4 CH2OH
M SVB 4 37 -1.514 -0.2047
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 32 33
M SBL 3 1 35
M SMT 3 OCH3
M SVB 3 35 1.5523 2.0057
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 0.3305 1.3987
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -0.7029 1.2146
S SKP 8
ID FL3FF8GS0003
KNApSAcK_ID C00004260
NAME 5-Hydroxy-7,8,2'-trimethoxyflavone 5-glucoside
CAS_RN 113963-41-0
FORMULA C24H26O11
EXACTMASS 490.147511674
AVERAGEMASS 490.45664
SMILES [C@@H]([C@H]4O)(OC(CO)[C@H](O)[C@@H]4O)Oc(c3)c(c1c(c3OC)OC)C(C=C(c(c(OC)2)cccc2)O1)=O
M END
