Mol:FL63AGNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8645 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8645 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 0.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8006 -1.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 -0.1846 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
1 11 1 0 0 0 0
3 12 1 0 0 0 0
8 13 1 1 0 0 0
9 14 1 6 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
16 22 1 0 0 0 0
S SKP 8
ID FL63AGNS0002
KNApSAcK_ID C00008817
NAME (+)-Gallocatechin;(+)-Gallocatechol;Gallocatechin;(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
CAS_RN 970-73-0
FORMULA C15H14O7
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
