Mol:FL3FF9GS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
0.0390 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0390 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5953 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1516 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1516 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5953 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7079 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2642 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2642 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7079 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7079 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8203 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3872 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9542 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9542 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3872 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8203 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5171 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5953 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2404 0.4194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7248 -0.2612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9823 0.0275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2658 0.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7865 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4360 0.2132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9542 0.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5286 -0.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5569 -0.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9027 1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3648 1.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3581 0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4301 1.4669 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 18 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 -2.6199 0.6116
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 0.9027 1.0625
S SKP 8
ID FL3FF9GS0004
KNApSAcK_ID C00004130
NAME Wogonin 7-glucoside
CAS_RN -
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES c(C(=O)3)(c(O)2)c(OC(c(c4)cccc4)=C3)c(c(c2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)OC
M END
