Mol:FL3FAAGS0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.1776 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1776 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9350 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9350 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4913 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0476 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0476 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4913 0.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4913 -1.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6037 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1707 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7377 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7377 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1707 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6037 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 0.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3045 1.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 -1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2731 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8385 -0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2125 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5260 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0474 0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6868 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1615 -0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5161 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8539 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0768 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4002 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8304 1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3045 0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8304 1.6710 0.0000 C 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
15 19 1 0 0 0 0
20 3 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
24 18 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL3FAAGS0041
KNApSAcK_ID C00004177
NAME Apigenin 7-(6''-acetylglucoside)
CAS_RN 72741-92-5
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)OC(COC(C)=O)C1O
M END
