EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C4H6O6.C9H13NO3 |
| Net Charge | 0 |
| Average Mass | 333.293 |
| Monoisotopic Mass | 333.10598 |
| SMILES | CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O |
| InChI | InChI=1S/C9H13NO3.C4H6O6/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;5-1(3(7)8)2(6)4(9)10/h2-4,9-13H,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1 |
| InChIKey | YLXIPWWIOISBDD-NDAAPVSOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | MetaboLights (MTBLS8090) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Epinephrine bitartrate (CHEBI:228805) is a benzenediols (CHEBI:33570) |
| IUPAC Name |
|---|
| (2R,3R)-2,3-dihydroxybutanedioic acid;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol |