Mol:FL5FA9NS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -1.4198 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -7.6806 7.8762
S SKP 8
ID FL5FA9NS0004
KNApSAcK_ID C00004535
NAME Galangin 5-methyl ether
CAS_RN 104594-69-6
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)cccc2)=C(O)1
M END
