EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H32O5 |
| Net Charge | 0 |
| Average Mass | 400.515 |
| Monoisotopic Mass | 400.22497 |
| SMILES | CC1=C[C@@H]2[C@H](O)[C@@H](C)[C@H](O)[C@H]2[C@@H]2[C@H]3C4=C5O[C@](C)(CC[C@@H](OC4=O)[C@@H]5C)[C@H]3C[C@H]12 |
| InChI | InChI=1S/C24H32O5/c1-9-7-13-17(21(26)11(3)20(13)25)16-12(9)8-14-18(16)19-22-10(2)15(28-23(19)27)5-6-24(14,4)29-22/h7,10-18,20-21,25-26H,5-6,8H2,1-4H3/t10-,11+,12+,13-,14-,15+,16+,17+,18-,20+,21-,24+/m0/s1 |
| InChIKey | WMRQHSFWMFGIFW-OUNSMTAHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (10805571) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| FR182877 (CHEBI:213737) is a oxacycle (CHEBI:38104) |
| IUPAC Name |
|---|
| (1R,2S,4S,7S,8S,9S,10R,11S,12S,13R,17R,18S)-8,10-dihydroxy-1,5,9,18-tetramethyl-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dien-15-one |
| Manual Xrefs | Databases |
|---|---|
| 8041422 | ChemSpider |