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CHEBI:49156 - (6S)-vomifoliol
| Formula | C13H20O3 |
| Net Charge | 0 |
| Average Mass | 224.300 |
| Monoisotopic Mass | 224.14124 |
| SMILES | CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)O |
| InChI | InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10?,13-/m1/s1 |
| InChIKey | KPQMCAKZRXOZLB-ZKQKWALRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Brachystemma calycinum (IPNI:151926-1) | aerial part (BTO:0001658) | PubMed (21634415) | 95% aqueous ethanolic extract of sun-dreid and powdered aerial parts |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6S)-vomifoliol (CHEBI:49156) has role metabolite (CHEBI:25212) |
| (6S)-vomifoliol (CHEBI:49156) is a vomifoliol (CHEBI:28258) |
| Incoming Relation(s) |
| (6S,9R)-vomifoliol (CHEBI:49164) is a (6S)-vomifoliol (CHEBI:49156) |
| (6S,9S)-vomifoliol (CHEBI:49158) is a (6S)-vomifoliol (CHEBI:49156) |
| IUPAC Name |
|---|
| (4S)-4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one |
| Registry Numbers | Sources |
|---|---|
| Beilstein:7688381 | Beilstein |
| Citations |
|---|