EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:218071 - Stereumin R
| Formula | C16H24O4 |
| Net Charge | 0 |
| Average Mass | 280.364 |
| Monoisotopic Mass | 280.16746 |
| SMILES | CO[C@@H]1O[C@H]2C(C)=CC[C@H]3[C@H]2C(=C1CO)[C@@H](O)C[C@@H]3C |
| InChI | InChI=1S/C16H24O4/c1-8-4-5-10-9(2)6-12(18)13-11(7-17)16(19-3)20-15(8)14(10)13/h4,9-10,12,14-18H,5-7H2,1-3H3/t9-,10+,12-,14-,15-,16+/m0/s1 |
| InChIKey | DPVIYPFHCDLDHZ-VPDNJXSWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stereum cf. sanguinolentum BCC 22926 (ncbitaxon:1513716) | - | PubMed (25004810) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Stereumin R (CHEBI:218071) is a pyrans (CHEBI:26407) |
| IUPAC Name |
|---|
| (1R,3R,6S,8S,9R,13S)-4-(hydroxymethyl)-3-methoxy-8,12-dimethyl-2-oxatricyclo[7.3.1.05,13]trideca-4,11-dien-6-ol |
| Manual Xrefs | Databases |
|---|---|
| 78442120 | ChemSpider |