EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C37H66O6 |
| Net Charge | 0 |
| Average Mass | 606.929 |
| Monoisotopic Mass | 606.48594 |
| SMILES | CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCCC(=O)CCCCCCCC2=CC(C)OC2=O)O1 |
| InChI | InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-14-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-15-19-24-32(38)23-18-13-11-12-17-22-31-29-30(2)42-37(31)41/h29-30,33-36,39-40H,3-28H2,1-2H3 |
| InChIKey | NZGIKHMTWDNXAF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cis-Reticulatacin-10-one (CHEBI:176214) is a polyketide (CHEBI:26188) |
| IUPAC Name |
|---|
| 4-[15-hydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]-8-oxopentadecyl]-2-methyl-2H-uran-5-one |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034967 | HMDB |
| 35013805 | ChemSpider |