EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20ClNO7 |
| Net Charge | 0 |
| Average Mass | 397.811 |
| Monoisotopic Mass | 397.09283 |
| SMILES | [H]Oc1c([H])c(O[H])c(C(=O)OC([H])([H])C([H])([H])c2c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c(N([H])[H])c2OC([H])([H])[H])c([H])c1Cl |
| InChI | InChI=1S/C18H20ClNO7/c1-24-15-7-12(20)16(25-2)9(17(15)26-3)4-5-27-18(23)10-6-11(19)14(22)8-13(10)21/h6-8,21-22H,4-5,20H2,1-3H3 |
| InChIKey | DFYGLJKFZQGYPA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE (CHEBI:47651) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate | PDBeChem |
| 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| RDE | PDBeChem |