Mol:FL2FALGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-3.1253 0.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4126 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1221 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4053 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6927 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9764 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2638 -0.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9837 0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3864 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8153 0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8121 1.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0960 1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3832 1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9753 -1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7507 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4053 -1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4001 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1895 -0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1660 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5662 0.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7767 0.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8001 -0.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1940 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 -0.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7617 -1.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8359 -1.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7507 -0.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 -0.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5378 1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 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 6 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
4 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
12 31 1 0 0 0 0
14 32 1 0 0 0 0
23 32 1 0 0 0 0
S SKP 8
ID FL2FALGS0002
KNApSAcK_ID C00014331
NAME Steppogenin 4'-O-beta-D-glucoside;5,7,2',4'-Tetrahydroxyflavanone 4'-glucoside
CAS_RN 247031-40-9
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c2)c(cc(c2C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)O)OC(O1)C(O)C(O)C(O)C1CO
M END
