Mol:FL1C1AGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-0.9654 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4636 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4636 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8925 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8925 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3215 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0359 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0359 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3215 2.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 -1.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7245 2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2887 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8109 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0357 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2244 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7022 1.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4775 0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6887 1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1925 1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7245 0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2819 0.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1464 0.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 -1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6521 1.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6653 -0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6653 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4102 -1.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4102 -2.4009 0.0000 C 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
13 17 1 0 0 0 0
18 19 1 1 0 0 0
19 20 1 1 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
2 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
30 21 1 0 0 0 0
S SKP 8
ID FL1C1AGS0011
KNApSAcK_ID C00014498
NAME 2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
CAS_RN 597550-52-2
FORMULA C26H30O9
EXACTMASS 486.188982558
AVERAGEMASS 486.51099999999997
SMILES C(=Cc(c3)ccc(O)c3)C(=O)c(c2)c(O)c(c(c2)OC(O1)C(C(C(C(CO)1)O)O)O)CC=C(C)C
M END
