Mol:FL1C1ANI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
1.1815 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1815 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7378 -1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2941 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2941 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7378 0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0755 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4808 -1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6316 -1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1926 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6316 -1.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1926 -0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2978 -0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2978 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8504 0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 -1.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8504 0.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2965 0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2965 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8479 1.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 1.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 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
17 5 1 0 0 0 0
18 16 1 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
S SKP 8
ID FL1C1ANI0008
KNApSAcK_ID C00007068
NAME Broussochalcone B
CAS_RN 28448-85-3
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(cc(O)c1CC=C(C)C)O
M END
