EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H22O4 |
| Net Charge | 0 |
| Average Mass | 266.337 |
| Monoisotopic Mass | 266.15181 |
| SMILES | CC1(C)CC[C@H](O)[C@]2(C)C3=C(C(=O)OC3)[C@H](O)C[C@@H]12 |
| InChI | InChI=1S/C15H22O4/c1-14(2)5-4-11(17)15(3)8-7-19-13(18)12(8)9(16)6-10(14)15/h9-11,16-17H,4-7H2,1-3H3/t9-,10+,11+,15-/m1/s1 |
| InChIKey | NXIOZHCTEOIOMX-DZHLUBAWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1alpha,7alpha-dihydroxyconfertifolin (CHEBI:212734) is a naphthofuran (CHEBI:39270) |
| IUPAC Name |
|---|
| (4R,5aS,9S,9aS)-4,9-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-3-one |
| Manual Xrefs | Databases |
|---|---|
| 78441321 | ChemSpider |