Mol:BMCCQI--t001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 1 0 0 0 0 0999 V2000 | + | 21 23 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.7500 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 | + | 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.2500 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 | + | 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 7 19 1 0 0 0 0 | + | 7 19 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 1 11 1 6 0 0 0 | + | 1 11 1 6 0 0 0 |
| − | 9 1 1 0 0 0 0 | + | 9 1 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 2 0 0 0 0 | + | 12 17 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCQI--t001 | + | ID BMCCQI--t001 |
| − | NAME (S)-Norlaudanosoline | + | NAME (S)-Norlaudanosoline |
| − | FORMULA C16H17NO4 | + | FORMULA C16H17NO4 |
| − | EXACTMASS 287.1157 | + | EXACTMASS 287.1157 |
| − | AVERAGEMASS 287.3105 | + | AVERAGEMASS 287.3105 |
| − | SMILES Oc(c3)c(O)cc(c3)C[C@@H](N2)c(c1)c(CC2)cc(O)c(O)1 | + | SMILES Oc(c3)c(O)cc(c3)C[C@@H](N2)c(c1)c(CC2)cc(O)c(O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02916 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02916 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 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
3.7321 -1.2500 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
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.2500 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 19 1 0 0 0 0
9 10 2 0 0 0 0
1 11 1 6 0 0 0
9 1 1 0 0 0 0
11 12 1 0 0 0 0
1 2 1 0 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 21 1 0 0 0 0
6 7 1 0 0 0 0
14 20 1 0 0 0 0
S SKP 7
ID BMCCQI--t001
NAME (S)-Norlaudanosoline
FORMULA C16H17NO4
EXACTMASS 287.1157
AVERAGEMASS 287.3105
SMILES Oc(c3)c(O)cc(c3)C[C@@H](N2)c(c1)c(CC2)cc(O)c(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02916
M END
