EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H24O4 |
| Net Charge | 0 |
| Average Mass | 280.364 |
| Monoisotopic Mass | 280.16746 |
| SMILES | C[C@H]1C[C@H](O)[C@H]2[C@@](O)(C=C[C@@]3(C)OCCC(=O)[C@]23C)C1 |
| InChI | InChI=1S/C16H24O4/c1-10-8-11(17)13-15(3)12(18)4-7-20-14(15,2)5-6-16(13,19)9-10/h5-6,10-11,13,17,19H,4,7-9H2,1-3H3/t10-,11-,13+,14+,15+,16+/m0/s1 |
| InChIKey | TWGAMRNBWXCEKV-MTBPCUBESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Paraconiothyriumspecies (ncbitaxon:1696682) | - | PubMed (28654255) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Isoversiol D (CHEBI:207941) is a organic heterotricyclic compound (CHEBI:26979) |
| Isoversiol D (CHEBI:207941) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (4aR,6aS,8S,10S,10aS,10bR)-6a,10-dihydroxy-4a,8,10b-trimethyl-3,7,8,9,10,10a-hexahydro-2H-benzo[]chromen-1-one |
| Manual Xrefs | Databases |
|---|---|
| 78440563 | ChemSpider |