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CHEBI:49164 - (6S,9R)-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@@H](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-KOIHBYQTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Brucea javanica (ncbitaxon:210348) | seed (BTO:0001226) | DOI (10.1016/0031-9422(96)00258-0) | |
| Perrottetia multiflora (IPNI:282530-2) | aerial part (BTO:0001658) | DOI (10.1021/np50105a013) | |
| Solanum lyratum (ncbitaxon:230192) | whole plant (BTO:0001461) | PubMed (19336938) | |
| Typha latifolia (ncbitaxon:4733) | - | DOI (10.1021/np50070a031) |
| 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. phytotoxin Any toxin produced by a plant. 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. 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,9R)-vomifoliol (CHEBI:49164) has role metabolite (CHEBI:25212) |
| (6S,9R)-vomifoliol (CHEBI:49164) has role phytotoxin (CHEBI:38231) |
| (6S,9R)-vomifoliol (CHEBI:49164) is a (6S)-vomifoliol (CHEBI:49156) |
| (6S,9R)-vomifoliol (CHEBI:49164) is enantiomer of (6R,9S)-vomifoliol (CHEBI:49160) |
| Incoming Relation(s) |
| (6R,9S)-vomifoliol (CHEBI:49160) is enantiomer of (6S,9R)-vomifoliol (CHEBI:49164) |
| IUPAC Name |
|---|
| (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one |
| Synonyms | Source |
|---|---|
| (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one | IUBMB |
| (6S,9R)-6-hydroxy-3-oxo-α-ionol | ChEBI |
| (6S,9R)-6-Hydroxy-3-oxo-alpha-ionol | KEGG COMPOUND |
| Blumenol A | NIST Chemistry WebBook |
| Vomifoliol | KEGG COMPOUND |
| UniProt Name | Source |
|---|---|
| (6S,9R)-vomifoliol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| --6-HYDROXY-3-OXO-ALPHA-IONOL | MetaCyc |
| C00029834 | KNApSAcK |
| C01760 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Beilstein:1877674 | Beilstein |
| Reaxys:1877674 | Reaxys |
| CAS:23526-45-6 | KEGG COMPOUND |
| Citations |
|---|