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)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1COC(=O)[C@@]12O |
| InChI | InChI=1S/C15H22O4/c1-13(2)5-4-6-14(3)11(13)10(16)7-9-8-19-12(17)15(9,14)18/h7,10-11,16,18H,4-6,8H2,1-3H3/t10-,11+,14+,15+/m1/s1 |
| InChIKey | ITJIJDWFGMAIKB-PKIAMQTDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus calidoustus (ncbitaxon:454130) | - | PubMed (8698631) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9,ll-dihydroxy-6-oxodrim-7-ene (CHEBI:213220) is a naphthofuran (CHEBI:39270) |
| IUPAC Name |
|---|
| (5R,5aS,9aS,9bS)-5,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g][2]benzouran-1-one |
| Manual Xrefs | Databases |
|---|---|
| 22842378 | ChemSpider |