Mol:FL5FAAGL0066
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-2.8036 1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8036 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2473 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6910 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6910 1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2473 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1347 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5784 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5784 1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1347 1.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1347 0.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5447 1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1117 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1117 2.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5447 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 2.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0697 0.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1152 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7275 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4730 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2229 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6107 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8652 0.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3881 0.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 1.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0970 0.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6785 2.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2473 0.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4145 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8519 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1975 -0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9508 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1603 -1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4145 -1.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8889 -2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 -2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -1.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2925 -1.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9755 -2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2925 -2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -2.9266 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
S SKP 8
ID FL5FAAGL0066
KNApSAcK_ID C00005848
NAME Kaempferol 3-(6''-(Z)-cinnamylglucoside)
CAS_RN 134779-23-0
FORMULA C30H26O12
EXACTMASS 578.1424262959999
AVERAGEMASS 578.5202400000001
SMILES C(=CC(OCC(O2)C(O)C(O)C(O)C(OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)2)=O)c(c1)cccc1
M END
