Mol:FL5FAAGS0053
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-2.4495 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4495 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3369 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3369 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 -0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0431 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6101 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6101 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0431 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 -0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4038 2.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9445 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3390 0.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1236 -0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7518 -1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5524 -0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7518 0.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1236 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3228 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0932 -0.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2849 -1.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7518 -1.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 -0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9444 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0696 -2.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2148 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 -1.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 -2.7198 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 0 0 0
29 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
30 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 2 0 0 0 0
S SKP 8
ID FL5FAAGS0053
KNApSAcK_ID C00005866
NAME Kaempferol 3-(3'',4''-diacetylrhamnoside)
CAS_RN 77307-50-7
FORMULA C25H24O12
EXACTMASS 516.126776232
AVERAGEMASS 516.4508599999999
SMILES CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(=C2c(c3)ccc(c3)O)C(=O)c(c(O2)1)c(O)cc(O)c1
M END
