Mol:BMCCQI--t002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 1 0 0 0 0 0999 V2000
5.4641 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 N 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
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -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 0.5000 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 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
2.8660 2.0000 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
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.5000 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
7 8 2 0 0 0 0
6 18 1 0 0 0 0
8 9 1 0 0 0 0
7 20 1 0 0 0 0
9 10 2 0 0 0 0
1 11 1 0 0 0 0
9 1 1 0 0 0 0
11 12 1 0 0 0 0
1 2 1 4 0 0 0
12 17 2 0 0 0 0
2 3 1 0 0 0 0
12 13 1 0 0 0 0
3 4 1 0 0 0 0
13 14 2 0 0 0 0
4 10 1 0 0 0 0
14 15 1 0 0 0 0
10 5 1 0 0 0 0
15 16 2 0 0 0 0
17 16 1 0 0 0 0
5 6 2 0 0 0 0
15 22 1 0 0 0 0
6 7 1 0 0 0 0
14 21 1 0 0 0 0
18 19 1 0 0 0 0
S SKP 7
ID BMCCQI--t002
NAME 6-O-Methyl-norlaudanosoline
FORMULA C17H19NO4
EXACTMASS 301.1314
AVERAGEMASS 301.337
SMILES COc(c1)c(O)cc(C2Cc(c3)cc(O)c(O)c3)c(CCN2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05203
M END
</pre>
