Mol:FL3FAAGS0056
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
0.4776 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4776 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3797 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3797 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8308 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2818 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2818 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8308 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8308 -1.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7327 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1925 -0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6522 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6522 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1925 0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7327 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0267 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1118 0.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -1.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4651 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9495 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2070 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4906 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0112 -0.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7696 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0416 -0.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7533 -0.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7796 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 0.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6204 0.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6204 1.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1205 0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6195 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1118 0.7105 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
24 18 1 0 0 0 0
30 31 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
34 35 2 0 0 0 0
35 36 1 0 0 0 0
S SKP 8
ID FL3FAAGS0056
KNApSAcK_ID C00004209
NAME Apigenin 7-(6''-crotonylglucoside)
CAS_RN 123656-62-2
FORMULA C25H24O11
EXACTMASS 500.13186161
AVERAGEMASS 500.45146
SMILES OC(C4O)C(COC(=O)C=CC)OC(C4O)Oc(c1)cc(O2)c(C(=O)C=C2c(c3)ccc(c3)O)c(O)1
M END
