EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H22O9 |
| Net Charge | 0 |
| Average Mass | 358.343 |
| Monoisotopic Mass | 358.12638 |
| SMILES | COC(=O)c1cc(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(OC)c1 |
| InChI | InChI=1S/C16H22O9/c1-7-11(17)12(18)13(19)16(24-7)25-14-9(21-2)5-8(15(20)23-4)6-10(14)22-3/h5-7,11-13,16-19H,1-4H3/t7-,11-,12+,13+,16-/m0/s1 |
| InChIKey | DNTCXDVSHGJREC-BEUGDGFMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,5-Dimethoxy-4-[(alpha-L-rhamnopyranosyl)oxy]benzoic acid methyl ester (CHEBI:181538) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate |
| Manual Xrefs | Databases |
|---|---|
| 10283327 | ChemSpider |