Mol:BMMCBZ4Sk014
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 23 0 0 0 0 0 0 0 0999 V2000 | + | 23 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 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 |
| − | 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 |
| − | 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.2500 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 | + | 4.5981 -1.7500 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 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.7500 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 | + | 5.4641 -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 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 |
| − | 3.7321 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.2500 0.0000 O 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 |
| − | 5.4641 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.2500 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 | + | 7.1962 -3.2500 0.0000 O 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 |
| − | 2.0000 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7500 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 |
| − | 5.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 1 18 2 0 0 0 0 | + | 1 18 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 12 23 2 0 0 0 0 | + | 12 23 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 7 15 1 0 0 0 0 | + | 7 15 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ4Sk014 | + | ID BMMCBZ4Sk014 |
| − | NAME | + | NAME 2- [(E) -3- (4-Hydroxy-3,5-dimethoxyphenyl) prop-2-enoyl] oxypropanedioic acid |
| − | FORMULA C14H14O9 | + | CAS_RN 958726-02-8 |
| − | EXACTMASS 326.0637 | + | FORMULA C14H14O9 |
| − | AVERAGEMASS 326.2555 | + | EXACTMASS 326.0637 |
| − | SMILES COc(c1)c(O)c(OC)cc(C=CC(=O)OC(C(O)=O)C(O)=O)1 | + | AVERAGEMASS 326.2555 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02750 | + | SMILES COc(c1)c(O)c(OC)cc(C=CC(=O)OC(C(O)=O)C(O)=O)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02750 | ||
M END | M END | ||
| − | |||
Latest revision as of 16:18, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000
2.8660 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
4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 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
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 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 0.2500 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
3.7321 -3.2500 0.0000 O 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
5.4641 -4.2500 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
8.0622 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 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
5.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20 2 1 0 0 0 0
3 22 1 0 0 0 0
3 21 2 0 0 0 0
2 3 1 0 0 0 0
1 19 1 0 0 0 0
1 18 2 0 0 0 0
2 1 1 0 0 0 0
5 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
4 10 1 0 0 0 0
10 11 2 0 0 0 0
12 23 2 0 0 0 0
11 12 1 0 0 0 0
6 13 1 0 0 0 0
13 14 1 0 0 0 0
8 16 1 0 0 0 0
16 17 1 0 0 0 0
7 15 1 0 0 0 0
12 20 1 0 0 0 0
S SKP 7
ID BMMCBZ4Sk014
NAME 2- [(E) -3- (4-Hydroxy-3,5-dimethoxyphenyl) prop-2-enoyl] oxypropanedioic acid
CAS_RN 958726-02-8
FORMULA C14H14O9
EXACTMASS 326.0637
AVERAGEMASS 326.2555
SMILES COc(c1)c(O)c(OC)cc(C=CC(=O)OC(C(O)=O)C(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02750
M END
