EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | 2H.C4H4O6.C9H13NO2 |
| Net Charge | 0 |
| Average Mass | 317.294 |
| Monoisotopic Mass | 317.11107 |
| SMILES | C[C@H](N)[C@H](O)c1cccc(O)c1.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[H+].[H+] |
| InChI | InChI=1S/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9-;1-,2-/m01/s1 |
| InChIKey | VENXSELNXQXCNT-IJYXXVHRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| metaraminol bitartrate (CHEBI:6795) is a tartrate salt (CHEBI:50562) |
| IUPAC Name |
|---|
| 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol dihydrogen (2R,3R)-2,3-dihydroxybutanedioate |
| Registry Numbers | Sources |
|---|---|
| CAS:33402-03-8 | KEGG DRUG |
| CAS:33402-03-8 | ChemIDplus |