Mol:FL5FAAGS0057
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
-3.6204 1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6204 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 0.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5078 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5078 1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 1.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9515 0.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3952 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3952 1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9515 1.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9515 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6948 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1278 1.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4392 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4392 2.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1278 3.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6948 2.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 -0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2329 3.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1154 1.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8319 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0473 -0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5809 -0.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3815 -0.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5809 0.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0473 0.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1519 0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9223 0.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1140 -1.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5809 -1.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0018 -0.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6683 0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0225 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9208 -0.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5160 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0573 -1.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5160 -2.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8826 -2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5770 -2.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4931 -2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7855 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4282 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7094 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2718 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5530 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2718 -2.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7094 -2.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1154 -2.5686 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
28 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
29 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 2 0 0 0 0
30 38 1 0 0 0 0
38 39 2 0 0 0 0
38 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 42 1 0 0 0 0
45 48 1 0 0 0 0
S SKP 8
ID FL5FAAGS0057
KNApSAcK_ID C00005870
NAME Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside
CAS_RN 128941-61-7
FORMULA C34H30O14
EXACTMASS 662.163555668
AVERAGEMASS 662.5935999999999
SMILES C(C(OC(C=Cc(c5)ccc(O)c5)=O)4)(OC(C(OC(C)=O)C(OC(C)=O)4)OC(C2=O)=C(Oc(c3)c(c(O)cc3O)2)c(c1)ccc(O)c1)C
M END
