(R)-4'-Hydroxy-3,4-dimethoxydalbergione (CHEBI:184460)

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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)-4'-Hydroxy-3,4-dimethoxydalbergione

ChEBI ID	CHEBI:184460

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H16O5

Net Charge

Average Mass

300.310

Monoisotopic Mass

300.09977

InChI

InChI=1S/C17H16O5/c1-4-12(10-5-7-11(18)8-6-10)13-9-14(19)16(21-2)17(22-3)15(13)20/h4-9,12,18H,1H2,2-3H3/t12-/m1/s1

InChIKey

XQFOJEJSFFKOCN-GFCCVEGCSA-N

SMILES

O(C=1C(=O)C([C@@H](C2=CC=C(O)C=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)-4'-Hydroxy-3,4-dimethoxydalbergione (CHEBI:184460) is a ubiquinones (CHEBI:16389)

IUPAC Name

5-[(1R)-1-(4-hydroxyphenyl)prop-2-enyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione