Mol:FL63AGNS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
0.3570 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3536 -1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 0.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3640 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0677 -1.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0747 -0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0781 -1.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7888 0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7888 -1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4995 -0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4995 -1.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7854 -2.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2171 0.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7853 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 1.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5029 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7922 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2102 -0.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7956 2.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2171 1.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 9 1 0
8 10 2 0
9 11 2 0
9 12 1 0
10 13 1 0
6 7 2 0
10 11 1 0
1 14 1 1
1 2 1 0
1 3 1 0
2 4 1 0
2 5 1 6
3 6 1 0
4 7 1 0
6 8 1 0
14 15 2 0
14 16 1 0
15 17 1 0
16 18 2 0
17 19 2 0
17 20 1 0
18 21 1 0
19 22 1 0
18 19 1 0
S SKP 8
ID FL63AGNS0017
KNApSAcK_ID C00034981
NAME (-)-Gallocatechin
CAS_RN 3371-27-5
FORMULA C15H14O7
EXACTMASS
AVERAGEMASS
SMILES
EXACTMASS 306.073952802
AVERAGEMASS 306.26746
SMILES Oc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c(O)3)c(O)1
M END
