Mol:FL3FAAGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.1523 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1523 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0397 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0397 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0729 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0729 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 1.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 -0.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6290 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1960 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7629 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7629 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1960 2.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6290 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7084 1.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 -0.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9176 -1.6535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1308 -1.9852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6321 -1.3638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0155 -0.9989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7268 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1179 -1.4300 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3298 -2.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8073 -2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9066 -1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3298 2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3033 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3023 -1.0268 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
15 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SVB 1 33 -2.3626 -1.1099
S SKP 8
ID FL3FAAGS0004
KNApSAcK_ID C00004139
NAME Apigenin 5-glucoside
CAS_RN 28757-27-9
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)ccc(O)c2)(O)[C@@H](O)[C@@H](O)C(O1)CO
M END
