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CHEBI:132623 - nodakenetin
| Formula | C14H14O4 |
| Net Charge | 0 |
| Average Mass | 246.262 |
| Monoisotopic Mass | 246.08921 |
| SMILES | [H][C@]1(C(C)(C)O)Cc2cc3ccc(=O)oc3cc2O1 |
| InChI | InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1 |
| InChIKey | FWYSBEAFFPBAQU-GFCCVEGCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Angelica pubescens (ncbitaxon:312530) | root (BTO:0001188) | PubMed (18661821) | |
| Saposhnikovia divaricata (ncbitaxon:203717) | - | PubMed (17703773) | |
| Angelica dahurica (ncbitaxon:48101) | - | PubMed (27444348) | |
| Angelica decursiva (ncbitaxon:52491) | root (BTO:0001188) | PubMed (25068578) | |
| Skimmia arborescens (ncbitaxon:1603834) | - | PubMed (22715728) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (19572262) |
| Roles Classification |
|---|
| Biological Roles: | xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nodakenetin (CHEBI:132623) has role plant metabolite (CHEBI:76924) |
| nodakenetin (CHEBI:132623) has role rat metabolite (CHEBI:86264) |
| nodakenetin (CHEBI:132623) has role xenobiotic metabolite (CHEBI:76206) |
| nodakenetin (CHEBI:132623) is a marmesin (CHEBI:49080) |
| nodakenetin (CHEBI:132623) is enantiomer of (+)-marmesin (CHEBI:6695) |
| Incoming Relation(s) |
| marmesinin (CHEBI:132401) has functional parent nodakenetin (CHEBI:132623) |
| (+)-marmesin (CHEBI:6695) is enantiomer of nodakenetin (CHEBI:132623) |
| IUPAC Name |
|---|
| (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one |
| Synonyms | Source |
|---|---|
| (-)-Marmesin | KEGG COMPOUND |
| (R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one | ChemIDplus |
| Citations |
|---|