Mol:FL1CBANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 32 0 0 0 0 0 0 0 0999 V2000
-1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -2.6812 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
5 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
8 10 2 0 0 0 0
10 11 1 0 0 0 0
11 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 11 1 0 0 0 0
14 17 1 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
4 20 1 0 0 0 0
2 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL1CBANI0003
KNApSAcK_ID C00014473
NAME 5'-Prenylxanthohumol;3',5'-Diprenyl-4,2',4'-trihydroxy-6-methoxychalcone
CAS_RN 189299-04-5
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES Oc(c1)ccc(C=CC(c(c2O)c(OC)c(CC=C(C)C)c(c2CC=C(C)C)O)=O)c1
M END
