Humulinone (CHEBI:175859)

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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	Humulinone

ChEBI ID	CHEBI:175859

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H30O6

Net Charge

Average Mass

378.465

Monoisotopic Mass

378.20424

InChI

InChI=1S/C21H30O6/c1-12(2)7-8-16(23)21(27)19(25)17(15(22)11-14(5)6)18(24)20(21,26)10-9-13(3)4/h7,9,14,24,26-27H,8,10-11H2,1-6H3

InChIKey

KXBNQEYVZSCSNH-UHFFFAOYSA-N

SMILES

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

ChEBI Ontology
Outgoing	Humulinone (CHEBI:175859) is a monoterpenoid (CHEBI:25409)

IUPAC Name

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