Mol:FL1DEANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 32 0 0 0 0 0 0 0 0999 V2000
2.6913 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6913 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1237 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6593 -0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1949 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7317 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1949 -1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7317 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2354 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2354 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7188 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0852 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7188 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2011 -0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1644 -0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6455 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1254 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0852 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 1.1166 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 7 1 0 0 0 0
10 12 2 0 0 0 0
12 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
16 17 1 0 0 0 0
14 18 1 0 0 0 0
5 19 1 0 0 0 0
12 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
23 27 1 0 0 0 0
26 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
13 31 1 0 0 0 0
S SKP 8
ID FL1DEANI0001
KNApSAcK_ID C00008022
NAME 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone
CAS_RN 76015-50-4
FORMULA C25H30O6
EXACTMASS 426.204238692
AVERAGEMASS 426.5021
SMILES CC(C)=CCCC(=CCc(c(O)1)c(c(C(=O)CCc(c2)ccc(O)c2)c(O)c1O)O)C
M END
