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CHEBI:69335 - aromaticin
| Formula | C15H18O3 |
| Net Charge | 0 |
| Average Mass | 246.306 |
| Monoisotopic Mass | 246.12559 |
| SMILES | [H][C@@]12C=CC(=O)[C@@]1(C)C[C@]1([H])C(=C)C(=O)O[C@@]1([H])C[C@H]2C |
| InChI | InChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1 |
| InChIKey | OSSDUQKWVVZIGP-SCGWIAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Inula hupehensis (IPNI:225932-1) | aerial part (BTO:0001658) | PubMed (21894898) | 95% aqueous EtOH extract of dried and powdered aerial parts |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| aromaticin (CHEBI:69335) has role anti-inflammatory agent (CHEBI:67079) |
| aromaticin (CHEBI:69335) has role metabolite (CHEBI:25212) |
| aromaticin (CHEBI:69335) has role plant metabolite (CHEBI:76924) |
| aromaticin (CHEBI:69335) is a cyclic ketone (CHEBI:3992) |
| aromaticin (CHEBI:69335) is a organic heterotricyclic compound (CHEBI:26979) |
| aromaticin (CHEBI:69335) is a sesquiterpene lactone (CHEBI:37667) |
| aromaticin (CHEBI:69335) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (3aR,4aS,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione |
| Synonym | Source |
|---|---|
| (3aR-(3aα,4aβ,7aα,8α,9aβ))-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno(6,5-b)furan-2,5-dione | ChemIDplus |
| Citations |
|---|