EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H22O5 |
| Net Charge | 0 |
| Average Mass | 318.369 |
| Monoisotopic Mass | 318.14672 |
| SMILES | CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 |
| InChI | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3 |
| InChIKey | MBMQEIFVQACCCH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione (CHEBI:125462) is a macrolide (CHEBI:25106) |
| 15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione (CHEBI:125462) is a resorcinols (CHEBI:33572) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36954 | LINCS |