EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H32O7 |
| Net Charge | 0 |
| Average Mass | 420.502 |
| Monoisotopic Mass | 420.21480 |
| SMILES | COc1cc(=O)oc(/C(C)=C/C(C)(O)C(O)/C(C)=C/C2(C)OC(C)C3(C)OC23)c1C |
| InChI | InChI=1S/C23H32O7/c1-12(18-14(3)16(27-8)9-17(24)28-18)10-21(5,26)19(25)13(2)11-22(6)20-23(7,30-20)15(4)29-22/h9-11,15,19-20,25-26H,1-8H3/b12-10+,13-11+ |
| InChIKey | HYVHGKDHDRBYPY-DCIPZJNNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[(2E,6E)-4,5-Dihydroxy-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one (CHEBI:182718) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| 6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one |