Mol:FL3FE9GS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.6053 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0272 1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2469 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1660 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7985 2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0182 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0537 3.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3592 3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9917 3.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2114 2.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5469 3.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4045 4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6014 5.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2462 5.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4700 4.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0493 3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8250 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2610 0.2199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7454 -0.4608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0029 -0.1720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2865 -0.1643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8071 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4567 0.0136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9748 -0.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5492 -0.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5775 -0.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0613 0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1084 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 2.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2166 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6535 0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6093 1.1676 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
1 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
2 28 1 0 0 0 0
28 29 1 0 0 0 0
3 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 32 33
M SBL 3 1 35
M SMT 3 CH2OH
M SVB 3 35 -2.6535 0.8734
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 0.1795 -1.0073
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 -0.6549 -0.4342
S SKP 8
ID FL3FE9GS0008
KNApSAcK_ID C00004126
NAME 7-Hydroxy-5,6-dimethoxyflavone 7-glucoside
CAS_RN 79198-77-9
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES c(c4)(cccc4)C(=C3)Oc(c(C(=O)3)2)cc(c(c(OC)2)OC)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
