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CHEBI:31249 - azulene
| Formula | C10H8 |
| Net Charge | 0 |
| Average Mass | 128.174 |
| Monoisotopic Mass | 128.06260 |
| SMILES | c1ccc2cccc-2cc1 |
| InChI | InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H |
| InChIKey | CUFNKYGDVFVPHO-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Anthemis cretica (ncbitaxon:127978) | aerial part (BTO:0001658) | PubMed (22351977) |
| Roles Classification |
|---|
| Biological Roles: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. |
| Application: | endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| azulene (CHEBI:31249) has role plant metabolite (CHEBI:76924) |
| azulene (CHEBI:31249) has role volatile oil component (CHEBI:27311) |
| azulene (CHEBI:31249) is a ortho-fused bicyclic arene (CHEBI:35426) |
| azulene (CHEBI:31249) is a azulenes (CHEBI:38096) |
| azulene (CHEBI:31249) is a mancude carbobicyclic parent (CHEBI:50553) |
| Incoming Relation(s) |
| 4,6,8-trimethylazulene (CHEBI:87304) has parent hydride azulene (CHEBI:31249) |
| IUPAC Name |
|---|
| azulene |
| Synonyms | Source |
|---|---|
| Azulene | KEGG COMPOUND |
| cyclopentacycloheptene | NIST Chemistry WebBook |
| Azulen | ChEBI |
| Citations |
|---|