7-demethylsuberosin (CHEBI:69042)

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ChEBI Name	7-demethylsuberosin

ChEBI ID	CHEBI:69042

Definition	A hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata.

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

Supplier Information

Download	Molfile XML SDF

Formula

C14H14O3

Net Charge

Average Mass

230.260

Monoisotopic Mass

230.09429

InChI

InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3

InChIKey

FIDUIAPDSKSUGO-UHFFFAOYSA-N

SMILES

C1=2OC(=O)C=CC1=CC(=C(C2)O)CC=C(C)C

Metabolite of Species	Details
Citropsis articulata (IPNI:771824-1)	Found in root (BTO:0001188). Previous component: root bark; Ethyl acetate extract of dried, powdered root bark. See: PubMed
Angelica dahurica var. formosana (NCBI:txid714446)	Found in root (BTO:0001188). See: PubMed
Angelica gigas (NCBI:txid85712)	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.

ChEBI Ontology
Outgoing	7-demethylsuberosin (CHEBI:69042) has role plant metabolite (CHEBI:76924) 7-demethylsuberosin (CHEBI:69042) is a hydroxycoumarin (CHEBI:37912)

Incoming	suberosin (CHEBI:69041) has functional parent 7-demethylsuberosin (CHEBI:69042)

IUPAC Name

7-hydroxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one

Last Modified

17 February 2017

General Comment
2014-10-17	Suggested Classification: ISA:1-benzopyran(CHEBI:38443); ISA:phenols(CHEBI:33853); ISA:pyranone(CHEBI:37963); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000); ISA:aromatic alcohol(CHEBI:33854);