(R)-3,4-Dimethoxydalbergione (CHEBI:185140)

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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	(R)-3,4-Dimethoxydalbergione

ChEBI ID	CHEBI:185140

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H16O4

Net Charge

Average Mass

284.311

Monoisotopic Mass

284.10486

InChI

InChI=1S/C17H16O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12H,1H2,2-3H3/t12-/m1/s1

InChIKey

LJEJBLOFFDLRIH-GFCCVEGCSA-N

SMILES

O(C=1C(=O)C([C@@H](C2=CC=CC=C2)C=C)=CC(=O)C1OC)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. (via ubiquinones ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via ubiquinones )

ChEBI Ontology
Outgoing	(R)-3,4-Dimethoxydalbergione (CHEBI:185140) is a ubiquinones (CHEBI:16389)

IUPAC Name

2,3-dimethoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione

Registry Number	Type	Source
3755-64-4	CAS Registry Number	ChemIDplus