Mol:BMCCQI--t007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 1 0 0 0 0 0999 V2000
6.3301 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 10 1 0 0 0 0
9 1 1 0 0 0 0
9 8 2 0 0 0 0
10 5 2 0 0 0 0
10 4 1 0 0 0 0
1 11 1 0 0 0 0
1 2 1 4 0 0 0
8 7 1 0 0 0 0
5 6 1 0 0 0 0
4 3 1 0 0 0 0
11 12 1 0 0 0 0
7 20 1 0 0 0 0
6 18 1 0 0 0 0
12 13 2 0 0 0 0
12 17 1 0 0 0 0
18 19 1 0 0 0 0
13 14 1 0 0 0 0
17 16 2 0 0 0 0
14 15 2 0 0 0 0
14 21 1 0 0 0 0
15 23 1 0 0 0 0
21 22 1 0 0 0 0
2 3 1 0 0 0 0
7 6 2 0 0 0 0
16 15 1 0 0 0 0
S SKP 7
ID BMCCQI--t007
NAME 1- [(4-Hydroxy-3-methoxyphenyl) methyl] -6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
CAS_RN 55102-37-9
FORMULA C18H21NO4
EXACTMASS 315.147
AVERAGEMASS 315.3636
SMILES C(c23)(NCCc2cc(OC)c(O)c3)Cc(c1)cc(OC)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05317
M END
