Revision as of 12:14, 5 November 2010 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1 InChIKey1 SMILES.← Previous edit |
Revision as of 13:15, 6 December 2010 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1->InChI StdInChI StdInChIKey.Next edit → |
Line 8: |
Line 8: |
|
| OtherNames = |
|
| OtherNames = |
|
| Section1 = {{Chembox Identifiers |
|
| Section1 = {{Chembox Identifiers |
|
| InChI1 = 1/C12H15O6/c13-6-8-9(14)10(15)11(12(16)18-8)17-7-4-2-1-3-5-7/h1-5,8-15H,6H2/q-1/t8-,9+,10+,11-,12?/m1/s1 |
|
| InChI = 1/C12H15O6/c13-6-8-9(14)10(15)11(12(16)18-8)17-7-4-2-1-3-5-7/h1-5,8-15H,6H2/q-1/t8-,9+,10+,11-,12?/m1/s1 |
|
| InChIKey1 = HRDZSWARBBWSQA-SCWFEDMQBF |
|
| InChIKey = HRDZSWARBBWSQA-SCWFEDMQBF |
|
|
| StdInChI = 1S/C12H15O6/c13-6-8-9(14)10(15)11(12(16)18-8)17-7-4-2-1-3-5-7/h1-5,8-15H,6H2/q-1/t8-,9+,10+,11-,12?/m1/s1 |
|
|
| StdInChIKey = HRDZSWARBBWSQA-SCWFEDMQSA-N |
|
| CASNo = 56390-15-9 |
|
| CASNo = 56390-15-9 |
|
| PubChem = 124323 |
|
| PubChem = 124323 |