Mol:FL5FAAGS0056
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 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
-0.1513 -1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1683 -2.1778 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
-0.7288 -1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0105 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5545 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8141 -1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3332 -1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5927 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3332 -2.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8141 -2.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1111 -2.1904 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
30 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 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 38 1 0 0 0 0
41 44 1 0 0 0 0
32 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
S SKP 8
ID FL5FAAGS0056
KNApSAcK_ID C00005869
NAME Kaempferol 3-(3'',4''-di-p-coumarylrhamnoside)
CAS_RN 166321-99-9
FORMULA C39H32O14
EXACTMASS 724.179205732
AVERAGEMASS 724.6629800000001
SMILES Oc(c6)ccc(c6)C(O4)=C(C(c(c5O)c(cc(c5)O)4)=O)OC(O2)C(O)C(OC(=O)C=Cc(c3)ccc(c3)O)C(C(C)2)OC(C=Cc(c1)ccc(c1)O)=O
M END
