Mol:FL3FF9GS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.6004 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6004 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5122 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5122 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0685 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0685 1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0685 -0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1809 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3148 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3148 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1809 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1565 1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -0.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6010 -0.9854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0854 -1.6660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3429 -1.3773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6265 -1.3695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1471 -0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7967 -1.1916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3148 -1.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8892 -1.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9175 -2.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2634 1.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7255 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7187 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1313 -0.0454 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
3 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 CH2OH
M SVB 2 34 -1.9805 -0.7932
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 0.2634 1.6996
S SKP 8
ID FL3FF9GS0003
KNApSAcK_ID C00004129
NAME Wogonin 5-glucoside
CAS_RN 80366-14-9
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES [C@@H](Oc(c24)cc(c(c2OC(=CC(=O)4)c(c3)cccc3)OC)O)([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
