Mol:FL1CCBNSH001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
-2.8988 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8988 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4699 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4699 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7554 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7554 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0409 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6736 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3880 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1025 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8170 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8170 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1025 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3880 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7554 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6133 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8988 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5314 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2459 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5034 -0.1428 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2459 1.0785 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 2 0 0 0 0
7 9 1 0 0 0 0
9 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
5 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
18 24 1 0 0 0 0
S SKP 8
ID FL1CCBNSH001
KNApSAcK_ID C00014425
NAME 3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone
CAS_RN 860000-36-8
FORMULA C18H17BrO5
EXACTMASS 392.025936254
AVERAGEMASS 393.22857999999997
SMILES c(c1O)c(c(c(c(C(=O)C=Cc(c2)ccc(OC)c2)1)OC)Br)OC
M END
