CHEBI:175443 - Cohumulone

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ChEBI Name Cohumulone
ChEBI ID CHEBI:175443
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O5
Net Charge 0
Average Mass 348.439
Monoisotopic Mass 348.19367
InChI InChI=1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3
InChIKey DRSITEVYZGOOQG-UHFFFAOYSA-N
SMILES OC1(C(O)=C(C(O)=C(C1=O)C(=O)C(C)C)CC=C(C)C)CC=C(C)C
ChEBI Ontology
Outgoing Cohumulone (CHEBI:175443) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Manual Xref Database
170551 ChemSpider
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Registry Number Type Source
142628-20-4 CAS Registry Number ChemIDplus