Prehumulone (CHEBI:174986)

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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	Prehumulone

ChEBI ID	CHEBI:174986

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H32O5

Net Charge

Average Mass

376.493

Monoisotopic Mass

376.22497

InChI

InChI=1S/C22H32O5/c1-13(2)7-9-16-19(24)18(17(23)10-8-14(3)4)21(26)22(27,20(16)25)12-11-15(5)6/h7,11,14,16,26-27H,8-10,12H2,1-6H3

InChIKey

RWECBKPOUYVUPL-UHFFFAOYSA-N

SMILES

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

ChEBI Ontology
Outgoing	Prehumulone (CHEBI:174986) is a benzoquinones (CHEBI:22729) Prehumulone (CHEBI:174986) is a quinone (CHEBI:36141)

IUPAC Name

5,6-dihydroxy-2,6-bis(3-methylbut-2-enyl)-4-(4-methylpentanoyl)cyclohex-4-ene-1,3-dione