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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | tropolone | |
| Synonyms |
2-hydroxycyclohepta-2,4,6-trienone purpurocatechol 2-hydroxytropone 2-hydroxy-2,4,6-cycloheptatrien-1-one 2-hydroxycyclohepta-2,4,6-trien-1-one |
|
| Definitions |
A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_79966 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:21598903 PMID:31452043 PMID:28389830 PMID:31820778 PMID:30677202 CAS:533-75-5 PMID:27002128 PMID:11561410 PMID:31907180 MetaCyc:CPD-7024 PMID:28661582 PMID:27908108 KEGG:C15474 PMID:30549082 PMID:1847521 PDBeChem:0TR PMID:29589436 Reaxys:1904978 Wikipedia:Tropolone
|
|
| definition |
A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii.
|
|
| formula |
C7H6O2
|
|
| has parent hydride | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_24127 |
|
| has_exact_synonym |
2-hydroxycyclohepta-2,4,6-trien-1-one
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
2-hydroxycyclohepta-2,4,6-trienone purpurocatechol 2-hydroxytropone 2-hydroxy-2,4,6-cycloheptatrien-1-one
|
|
| id |
CHEBI:79966
|
|
| in_subset | ||
| inchi |
InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
|
|
| inchikey |
MDYOLVRUBBJPFM-UHFFFAOYSA-N
|
|
| label |
tropolone
|
|
| mass |
122.123
|
|
| monoisotopicmass |
122.03678
|
|
| notation |
CHEBI:79966
|
|
| prefLabel |
tropolone
|
|
| smiles |
OC1=CC=CC=CC1=O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_139588 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_139588 |
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