Mol:FL5FEAGS0023
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
2.3678 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3678 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7968 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7968 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9389 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2244 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2244 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9389 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4901 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2045 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2045 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4901 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9389 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9190 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3310 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3975 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4901 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8707 -1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0902 1.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6070 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1944 -0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3960 0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6025 -0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0151 0.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8135 0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9705 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4503 1.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0902 0.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6430 0.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5675 -0.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
20 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 18 1 0 0 0 0
S SKP 8
ID FL5FEAGS0023
KNApSAcK_ID C00013826
NAME 6-Hydroxykaempferol 4'-methyl ether 7-glucoside;3,5,6-Trihydroxy-4'-methoxyflavone-7-beta-D-glucoside;7-(beta-D-Glucopyranosyloxy)-3,5,6-trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 349607-67-6
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES O(C)c(c4)ccc(c4)C(=C(O)1)Oc(c2)c(c(O)c(O)c2OC(C(O)3)OC(CO)C(C3O)O)C1=O
M END
</pre>
