Mol:BMMCAS--q005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 17 0 0 0 0 0 0 0 0999 V2000
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
13 7 1 0 0 0 0
2 3 1 0 0 0 0
2 14 1 0 0 0 0
6 5 2 0 0 0 0
7 8 2 0 0 0 0
7 12 1 0 0 0 0
3 4 2 0 0 0 0
3 15 1 0 0 0 0
8 9 1 0 0 0 0
8 16 1 0 0 0 0
12 11 2 0 0 0 0
9 10 2 0 0 0 0
5 4 1 0 0 0 0
11 10 1 0 0 0 0
S SKP 7
ID BMMCAS--q005
NAME 2,2',3-Trihydroxy-diphenyl-ether
FORMULA C12H10O4
EXACTMASS 218.0579
AVERAGEMASS 218.2054
SMILES Oc(c2)c(ccc2)Oc(c1)c(O)c(O)cc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07733
M END
