Mol:FL2FF9GS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.4537 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4537 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1026 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6589 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6589 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1026 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7715 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7715 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.2152 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3276 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8946 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8946 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3276 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0098 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1026 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0744 -0.0348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7282 -0.4919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2296 -0.2980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7099 -0.3037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0981 0.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6074 -0.1260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4615 0.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0550 -0.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9439 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3806 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8171 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7942 0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7516 0.9578 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 1 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
7 17 2 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 -2.7942 0.6691
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 0.3806 1.0455
S SKP 8
ID FL2FF9GS0002
KNApSAcK_ID C00008157
NAME Dihydrowogonin 7-O-glucoside
CAS_RN 99211-28-6
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
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
