EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:213003 - 8-hydroxy-1,6-dimethoxy-3,4-dihydro-1H-isochromene-7-carbaldehyde
| Formula | C12H14O5 |
| Net Charge | 0 |
| Average Mass | 238.239 |
| Monoisotopic Mass | 238.08412 |
| SMILES | COc1cc2c(c(O)c1C=O)[C@@H](OC)OCC2 |
| InChI | InChI=1S/C12H14O5/c1-15-9-5-7-3-4-17-12(16-2)10(7)11(14)8(9)6-13/h5-6,12,14H,3-4H2,1-2H3/t12-/m0/s1 |
| InChIKey | PMBCUZNHZOXWJF-LBPRGKRZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | DOI (10.1177/1934578x1501001227) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-hydroxy-1,6-dimethoxy-3,4-dihydro-1H-isochromene-7-carbaldehyde (CHEBI:213003) is a 2-benzopyran (CHEBI:38444) |
| IUPAC Name |
|---|
| 8-hydroxy-1,6-dimethoxy-3,4-dihydro-1H-isochromene-7-carbaldehyde |
| Manual Xrefs | Databases |
|---|---|
| 44210971 | ChemSpider |