Mol:FL1C1ANI0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
1.1816 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7379 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7379 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0754 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4809 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6315 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6315 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2977 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2977 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8503 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8503 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8503 -1.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2964 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2964 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8466 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7463 1.9204 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
5 17 1 0 0 0 0
16 18 1 0 0 0 0
14 19 1 0 0 0 0
4 20 1 0 0 0 0
13 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
23 25 1 0 0 0 0
S SKP 8
ID FL1C1ANI0014
KNApSAcK_ID C00007095
NAME Broussochalcone A
CAS_RN 99217-68-2
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2)c(cc(O)c2CC=C(C)C)O)c1
M END
