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 ...) |
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| 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
