Mol:BMMCBZ2OS602
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 1 0 0 0 0 0999 V2000 | + | 23 24 0 0 1 0 0 0 0 0999 V2000 |
| − | 7.1962 0.2500 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 |
| − | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.7500 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 | + | 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.2500 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 | + | 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.2500 0.0000 C 0 0 3 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 | + | 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 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.7500 0.0000 C 0 0 1 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 |
| − | 7.1962 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.2500 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 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14 22 1 6 0 0 0 | + | 14 22 1 6 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 10 22 1 0 0 0 0 | + | 10 22 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 10 18 1 4 0 0 0 | + | 10 18 1 4 0 0 0 |
| − | 12 20 1 6 0 0 0 | + | 12 20 1 6 0 0 0 |
| − | 13 21 1 1 0 0 0 | + | 13 21 1 1 0 0 0 |
| − | 11 19 1 1 0 0 0 | + | 11 19 1 1 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 16 1 0 0 0 0 | + | 9 16 1 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ2OS602 | + | ID BMMCBZ2OS602 |
| − | NAME D-Glucosyl-2-coumaric acid | + | NAME D-Glucosyl-2-coumaric acid |
| − | FORMULA C15H18O8 | + | FORMULA C15H18O8 |
| − | EXACTMASS 326.1001 | + | EXACTMASS 326.1001 |
| − | AVERAGEMASS 326.2986 | + | AVERAGEMASS 326.2986 |
| − | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(Oc(c2)c(ccc2)C=CC(O)=O)1 | + | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(Oc(c2)c(ccc2)C=CC(O)=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05158 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05158 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.7500 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
8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 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
8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 3 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 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 C 0 0 1 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
7.1962 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 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 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14 22 1 6 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
12 11 1 0 0 0 0
11 10 1 0 0 0 0
10 22 1 0 0 0 0
14 15 1 0 0 0 0
10 18 1 4 0 0 0
12 20 1 6 0 0 0
13 21 1 1 0 0 0
11 19 1 1 0 0 0
15 23 1 0 0 0 0
6 1 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 16 1 0 0 0 0
9 17 2 0 0 0 0
2 18 1 0 0 0 0
S SKP 7
ID BMMCBZ2OS602
NAME D-Glucosyl-2-coumaric acid
FORMULA C15H18O8
EXACTMASS 326.1001
AVERAGEMASS 326.2986
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(Oc(c2)c(ccc2)C=CC(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05158
M END
