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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: | 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. |
| 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 |
|---|