Adlupone (CHEBI:191927)

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ChEBI Ontology

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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	Adlupone

ChEBI ID	CHEBI:191927

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C31H46O4

Net Charge

Average Mass

482.705

Monoisotopic Mass

482.33961

InChI

InChI=1S/C31H46O4/c1-11-24(10)26(32)25-27(33)30(16-12-20(2)3,17-13-21(4)5)29(35)31(28(25)34,18-14-22(6)7)19-15-23(8)9/h12-15,24,33H,11,16-19H2,1-10H3

InChIKey

NHAJHKARKKFXMR-UHFFFAOYSA-N

SMILES

O=C1C(C(O)=C(C(=O)C1(CC=C(C)C)CC=C(C)C)C(=O)C(CC)C)(CC=C(C)C)CC=C(C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in blood serum (BTO:0000133). See: MetaboLights Study

ChEBI Ontology
Outgoing	Adlupone (CHEBI:191927) is a benzoquinones (CHEBI:22729) Adlupone (CHEBI:191927) is a quinone (CHEBI:36141)

IUPAC Name

5-hydroxy-4-(2-methylbutanoyl)-2,2,6,6-tetrakis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione