Mol:FL63ACNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7719 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3075 -0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5342 -0.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8078 -0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 0.1248 0.0000 O 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
8 20 1 1 0 0 0
8 21 1 6 0 0 0
3 22 1 0 0 0 0
13 23 1 0 0 0 0
S SKP 8
ID FL63ACNS0002
KNApSAcK_ID C00000956
NAME (-)-Epicatechin
CAS_RN 490-46-0
FORMULA C15H14O6
EXACTMASS 290.07903818
AVERAGEMASS 290.26806
SMILES Oc(c3)cc(O1)c(c(O)3)CC([H])(O)C([H])1c(c2)cc(O)c(O)c2
M END
