Mol:BMMCBZ2OS603
From Metabolomics.JP
(Difference between revisions)
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− | 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 |
− | 3.7321 -2.5000 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 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5000 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 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 6.3301 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 6.3301 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.4641 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 4.5981 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.7321 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.5000 0.0000 C 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 | + | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 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 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 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 12 20 1 6 0 0 0 | + | 12 20 1 6 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 10 18 1 4 0 0 0 | + | 10 18 1 4 0 0 0 |
− | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
− | 13 21 1 1 0 0 0 | + | 13 21 1 1 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 11 19 1 1 0 0 0 | + | 11 19 1 1 0 0 0 |
− | 2 16 1 0 0 0 0 | + | 2 16 1 0 0 0 0 |
− | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
− | 9 18 1 0 0 0 0 | + | 9 18 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMMCBZ2OS603 | + | ID BMMCBZ2OS603 |
− | NAME cis-D-Glucosyl-2-hydroxy-cinnamic acid | + | NAME cis-D-Glucosyl-2-hydroxy-cinnamic 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(=O)C=Cc(c2)c(O)ccc2)1 | + | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(OC(=O)C=Cc(c2)c(O)ccc2)1 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05839 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05839 |
M END | M END | ||
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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 3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 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 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 3.5000 0.0000 C 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 3.7321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 1 7 1 0 0 0 0 3 4 2 0 0 0 0 7 8 2 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 22 1 6 0 0 0 14 13 1 0 0 0 0 4 5 1 0 0 0 0 14 15 1 0 0 0 0 8 9 1 0 0 0 0 12 20 1 6 0 0 0 5 6 2 0 0 0 0 10 18 1 4 0 0 0 9 17 2 0 0 0 0 13 21 1 1 0 0 0 6 1 1 0 0 0 0 11 19 1 1 0 0 0 2 16 1 0 0 0 0 15 23 1 0 0 0 0 9 18 1 0 0 0 0 S SKP 7 ID BMMCBZ2OS603 NAME cis-D-Glucosyl-2-hydroxy-cinnamic 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(=O)C=Cc(c2)c(O)ccc2)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05839 M END