Mol:FL3FCKGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
1.5888 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5888 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3033 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0178 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0178 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3033 2.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8744 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1599 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1599 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8744 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2691 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9835 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9835 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2691 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1599 -1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6980 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2691 -1.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7322 2.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3033 2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7322 0.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3558 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9637 -1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5512 -2.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7531 -2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9598 -2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3723 -1.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1704 -1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3273 -1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8070 -0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4467 -2.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9997 -2.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9245 -2.7027 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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
20 24 1 0 0 0 0
18 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 19 1 0 0 0 0
S SKP 8
ID FL3FCKGS0001
KNApSAcK_ID C00013719
NAME Lethedoside C;Tricetin 7,3',4'-trimethyl eter 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 221289-30-1
FORMULA C24H26O12
EXACTMASS 506.142426296
AVERAGEMASS 506.45604
SMILES O(C(C4O)OC(CO)C(O)C4O)c(c3)c(c(cc3OC)2)C(=O)C=C(O2)c(c1)cc(O)c(c1OC)OC
M END
