EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H15NO3 |
| Net Charge | 0 |
| Average Mass | 221.256 |
| Monoisotopic Mass | 221.10519 |
| SMILES | COc1c2c(cc3c1OCO3)CCN(C)C2 |
| InChI | InChI=1S/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3 |
| InChIKey | XXANNZJIZQTCBP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline (CHEBI:92664) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2830 | LINCS |
| HMDB0033701 | HMDB |