Isohumulone A (CHEBI:197058)

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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	Isohumulone A

ChEBI ID	CHEBI:197058

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H30O5

Net Charge

Average Mass

362.466

Monoisotopic Mass

362.20932

InChI

InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3

InChIKey

QARXXMMQVDCYGZ-UHFFFAOYSA-N

SMILES

OC1(C(C(=O)C(=C1O)C(=O)CC(C)C)CC=C(C)C)C(=O)CC=C(C)C

Metabolite of Species	Details
Cannabis sativa (NCBI:txid3483)	Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study

ChEBI Ontology
Outgoing	Isohumulone A (CHEBI:197058) is a monoterpenoid (CHEBI:25409)

IUPAC Name

3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one