Mol:FL1C1ANI0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
0.8236 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8236 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9362 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9362 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4334 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1229 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9895 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5504 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9895 -1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5504 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 -1.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 0.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2070 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1043 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4925 0.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2070 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0129 0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5129 1.1747 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 16 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
5 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -3.0129 0.3087
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 2.4925 0.0028
S SKP 8
ID FL1C1ANI0010
KNApSAcK_ID C00007071
NAME 4'-O-Methylbavachalcone
CAS_RN 41682-53-5
FORMULA C22H24O4
EXACTMASS 352.167459256
AVERAGEMASS 352.42356
SMILES C(=O)(C=Cc(c2)ccc(c2)OC)c(c1)c(cc(OC)c1CC=C(C)C)O
M END
