Mol:BMMCBZ2OS535
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 1 0 0 0 0 0999 V2000 7.1753 1.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.3760 ...) |
|||
Line 50: | Line 50: | ||
20 23 1 0 0 0 0 | 20 23 1 0 0 0 0 | ||
20 22 2 0 0 0 0 | 20 22 2 0 0 0 0 | ||
− | S SKP | + | S SKP 7 |
− | NAME | + | NAME 2- [ [(2R,3R,4S,5R) -3,4-Dihydroxy-5- (phosphonooxymethyl) oxolan-2-yl] amino] benzoic acid |
+ | CAS_RN 27695-85-8 | ||
ID BMMCBZ2OS535 | ID BMMCBZ2OS535 | ||
FORMULA C12H16NO9P | FORMULA C12H16NO9P | ||
EXACTMASS 349.056267625 | EXACTMASS 349.056267625 | ||
AVERAGEMASS 349.230541 | AVERAGEMASS 349.230541 | ||
+ | SMILES OC(=O)c(c2)c(ccc2)N[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | ||
SMILES OC(=O)c(c2)c(ccc2)N[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | SMILES OC(=O)c(c2)c(ccc2)N[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | ||
M END | M END |
Latest revision as of 15:54, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 1 0 0 0 0 0999 V2000 7.1753 1.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 2.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.8760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 1.3760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6637 1.7828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9945 1.0396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4945 0.1736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0878 -0.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 3.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 3.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 2.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 0.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 -1.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 -2.4625 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3553 -2.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -2.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8621 -3.3760 0.0000 O 0 0 0 0 0 0 0 0 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 7 15 1 0 0 0 0 7 14 2 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 10 9 1 0 0 0 0 9 18 1 6 0 0 0 12 18 1 6 0 0 0 12 11 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 9 8 1 0 0 0 0 11 17 1 1 0 0 0 10 16 1 1 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 22 2 0 0 0 0 S SKP 7 NAME 2- [ [(2R,3R,4S,5R) -3,4-Dihydroxy-5- (phosphonooxymethyl) oxolan-2-yl] amino] benzoic acid CAS_RN 27695-85-8 ID BMMCBZ2OS535 FORMULA C12H16NO9P EXACTMASS 349.056267625 AVERAGEMASS 349.230541 SMILES OC(=O)c(c2)c(ccc2)N[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 SMILES OC(=O)c(c2)c(ccc2)N[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 M END