EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:203401 - Cinatrin B
| Formula | C18H28O8 |
| Net Charge | 0 |
| Average Mass | 372.414 |
| Monoisotopic Mass | 372.17842 |
| SMILES | CCCCCCCCCC[C@@H]1C[C@@]2(OC(=O)[C@H](O)[C@]2(O)C(=O)O)C(=O)O1 |
| InChI | InChI=1S/C18H28O8/c1-2-3-4-5-6-7-8-9-10-12-11-17(16(23)25-12)18(24,15(21)22)13(19)14(20)26-17/h12-13,19,24H,2-11H2,1H3,(H,21,22)/t12-,13+,17-,18+/m1/s1 |
| InChIKey | QUSVCUTZGWKBQJ-OBQMCUGOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Circinotrichum (ncbitaxon:1508298) | - | PubMed (1548188) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cinatrin B (CHEBI:203401) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| (3R,4R,5S,8R)-8-decyl-3,4-dihydroxy-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 8174928 | ChemSpider |