nodakenetin (CHEBI:132623)

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ChEBI Name	nodakenetin

ChEBI ID	CHEBI:132623

Definition	A marmesin with R-configuration.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	qingping liu

Secondary ChEBI IDs	CHEBI:49083, CHEBI:7606

Supplier Information

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Formula

C14H14O4

Net Charge

Average Mass

246.259

Monoisotopic Mass

246.08921

InChI

InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1

InChIKey

FWYSBEAFFPBAQU-GFCCVEGCSA-N

SMILES

O1[C@](CC2=C1C=C3OC(=O)C=CC3=C2)(C(C)(C)O)[H]

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	See: PubMed
Skimmia arborescens (NCBI:txid1603834)	See: PubMed
Saposhnikovia divaricata (NCBI:txid203717)	See: PubMed
Angelica pubescens (NCBI:txid312530)	Found in root (BTO:0001188). See: PubMed
Angelica dahurica (NCBI:txid48101)	See: PubMed
Angelica decursiva (NCBI:txid52491)	Found in root (BTO:0001188). See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound.

ChEBI Ontology
Outgoing	nodakenetin (CHEBI:132623) has role plant metabolite (CHEBI:76924) nodakenetin (CHEBI:132623) has role rat metabolite (CHEBI:86264) nodakenetin (CHEBI:132623) has role xenobiotic metabolite (CHEBI:76206) nodakenetin (CHEBI:132623) is a marmesin (CHEBI:49080) nodakenetin (CHEBI:132623) is enantiomer of (+)-marmesin (CHEBI:6695)

Incoming	marmesinin (CHEBI:132401) has functional parent nodakenetin (CHEBI:132623) (+)-marmesin (CHEBI:6695) is enantiomer of nodakenetin (CHEBI:132623)

IUPAC Name

(2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one

Synonyms	Sources
(-)-Marmesin	KEGG COMPOUND
(R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one	ChemIDplus

Last Modified

24 November 2016