Mol:PR100848
From Metabolomics.JP
(Difference between revisions)
| Line 2: | Line 2: | ||
| − | 11 10 0 0 1 0 0 0 0 0999 V2000 | + | 11 10 0 0 1 0 0 0 0 0999 V2000 |
| − | 19.7195 -16.5101 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 | + | 19.7195 -16.5101 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 20.9351 -15.8145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.9351 -15.8145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.4982 -15.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.4982 -15.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.7136 -17.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.7136 -17.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.3630 -15.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.3630 -15.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.1506 -16.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.1506 -16.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 23.3526 -15.8071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 23.3526 -15.8071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 24.5601 -16.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 24.5601 -16.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 25.7677 -15.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 25.7677 -15.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 23.3470 -14.4088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 23.3470 -14.4088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 24.5632 -17.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 24.5632 -17.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 6 1 0 0 0 | + | 2 6 1 0 0 0 |
| − | 6 7 1 0 0 0 | + | 6 7 1 0 0 0 |
| − | 1 2 1 0 0 0 | + | 1 2 1 0 0 0 |
| − | 7 8 1 0 0 0 | + | 7 8 1 0 0 0 |
| − | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
| − | 8 9 1 0 0 0 | + | 8 9 1 0 0 0 |
| − | 1 4 2 0 0 0 | + | 1 4 2 0 0 0 |
| − | 7 10 1 6 0 0 | + | 7 10 1 6 0 0 |
| − | 1 5 2 0 0 0 | + | 1 5 2 0 0 0 |
| − | 8 11 2 0 0 0 | + | 8 11 2 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 1637-71-4 | + | CAS_RN 1637-71-4 |
| − | NAME S-Sulfocysteine | + | NAME S-Sulfocysteine |
| + | ID PR100848 | ||
| + | FORMULA C3H7NO5S2 | ||
| + | EXACTMASS 200.97656371899998 | ||
| + | AVERAGEMASS 201.22342 | ||
| + | SMILES N[C@@H](C(O)=O)CSS(O)(=O)=O | ||
M END | M END | ||
Latest revision as of 10:33, 23 December 2009
11 10 0 0 1 0 0 0 0 0999 V2000 19.7195 -16.5101 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 20.9351 -15.8145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.4982 -15.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7136 -17.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3630 -15.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1506 -16.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3526 -15.8071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.5601 -16.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7677 -15.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3470 -14.4088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5632 -17.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 1 2 1 0 0 0 7 8 1 0 0 0 1 3 1 0 0 0 8 9 1 0 0 0 1 4 2 0 0 0 7 10 1 6 0 0 1 5 2 0 0 0 8 11 2 0 0 0 S SKP 7 CAS_RN 1637-71-4 NAME S-Sulfocysteine ID PR100848 FORMULA C3H7NO5S2 EXACTMASS 200.97656371899998 AVERAGEMASS 201.22342 SMILES N[C@@H](C(O)=O)CSS(O)(=O)=O M END
