Mol:FL5FAAGS0049
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.3792 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3792 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8229 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2666 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2666 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8229 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7103 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7103 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7103 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5464 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1134 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6804 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6804 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1134 2.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5464 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8229 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4741 2.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8742 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4093 0.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1938 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8221 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6227 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8221 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1938 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3931 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 -0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 -1.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8221 -1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2430 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 -2.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 -1.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 -2.6783 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
30 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
S SKP 8
ID FL5FAAGS0049
KNApSAcK_ID C00005862
NAME Kaempferol 3-(4''-acetylrhamnoside)
CAS_RN 135618-17-6
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES C(=O)(C(OC(C(O)4)OC(C(OC(C)=O)C(O)4)C)=2)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O
M END
