Mol:FL63CCNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
1.4194 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7049 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7162 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7162 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7049 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1374 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1374 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 -1.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8519 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5664 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1443 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8692 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8692 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1443 1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5664 0.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 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 7 1 0 0 0 0
7 2 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
11 12 1 0 0 0 0
9 14 1 0 0 0 0
7 13 1 1 0 0 0
14 15 1 0 0 0 0
1 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 1 1 0 0 0 0
18 21 1 0 0 0 0
17 22 1 0 0 0 0
S SKP 8
ID FL63CCNS0001
KNApSAcK_ID C00013258
NAME Catechin-7-methyl ether
CAS_RN -
FORMULA C16H16O6
EXACTMASS 304.094688244
AVERAGEMASS 304.29463999999996
SMILES COc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c3)c(O)1
M END
