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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | azulene | |
| Synonyms |
cyclopentacycloheptene Azulen azulene Azulene |
|
| Definitions |
A mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31249 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:22351977 KEGG:C13392 Reaxys:969517 Gmelin:102129 KNApSAcK:C00042269 Wikipedia:Azulene PMID:24745894 CAS:275-51-4
|
|
| definition |
A mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings.
|
|
| formula |
C10H8
|
|
| has role | ||
| has_exact_synonym |
azulene Azulene
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
cyclopentacycloheptene Azulen
|
|
| id |
CHEBI:31249
|
|
| in_subset | ||
| inchi |
InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
|
|
| inchikey |
CUFNKYGDVFVPHO-UHFFFAOYSA-N
|
|
| label |
azulene
|
|
| mass |
128.17052
|
|
| monoisotopicmass |
128.06260
|
|
| notation |
CHEBI:31249
|
|
| prefLabel |
azulene
|
|
| smiles |
c1ccc2cccc2cc1
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38096 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38096 |
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