Mol:FL63AANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 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
-0.2705 -0.7345 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
-1.2714 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8694 -0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7076 -0.9232 0.0000 H 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 6 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
3 20 1 0 0 0 0
8 21 1 1 0 0 0
8 22 1 6 0 0 0
S SKP 8
ID FL63AANS0001
KNApSAcK_ID C00000937
NAME Afzelechin
CAS_RN 2545-00-8
FORMULA C15H14O5
EXACTMASS 274.084123558
AVERAGEMASS 274.26866
SMILES Oc(c3)ccc(c3)C([H])(O1)C([H])(O)Cc(c(O)2)c(cc(O)c2)1
M END
