CHEBI:173583 - Cuelure

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cuelure
ChEBI ID CHEBI:173583
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14O3
Net Charge 0
Average Mass 206.241
Monoisotopic Mass 206.09429
InChI InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3
InChIKey UMIKWXDGXDJQJK-UHFFFAOYSA-N
SMILES O(C1=CC=C(CCC(=O)C)C=C1)C(=O)C
ChEBI Ontology
Outgoing Cuelure (CHEBI:173583) is a benzoate ester (CHEBI:36054)
Cuelure (CHEBI:173583) is a phenols (CHEBI:33853)
IUPAC Name
[4-(3-oxobutyl)phenyl] acetate
Manual Xrefs Databases
18057 ChemSpider
HMDB0033594 HMDB
View more database links
Registry Number Type Source
3572-06-3 CAS Registry Number ChemIDplus