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CHEBI:143242 - adhumulone

ChEBI IDCHEBI:143242
ChEBI Nameadhumulone
Stars
Last Modified12 March 2019
Submittermwilliams
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILESCCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(O)(CC=C(C)C)C1=O
InChIInChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14,23-24,26H,7,9,11H2,1-6H3
InChIKeyLDXMPKMQIKGJFN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
adhumulone (CHEBI:143242) is a cyclic ketone (CHEBI:3992)
Manual XrefsDatabases
193681PubChem Compound