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CHEBI:69042 - 7-demethylsuberosin

ChEBI IDCHEBI:69042
ChEBI Name7-demethylsuberosin
Stars
DefinitionA 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.
Last Modified17 February 2017
DownloadsMolfile
FormulaC14H14O3
Net Charge0
Average Mass230.263
Monoisotopic Mass230.09429
SMILESCC(C)=CCc1cc2ccc(=O)oc2cc1O
InChIInChI=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
InChIKeyFIDUIAPDSKSUGO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Citropsis articulata (IPNI:771824-1) root (BTO:0001188) PubMed (21985060) Previous component: root bark; Ethyl acetate extract of dried, powdered root bark.
Angelica dahurica var. formosana (ncbitaxon:714446) root (BTO:0001188) PubMed (26552172)
Angelica gigas (ncbitaxon:85712) root (BTO:0001188) PubMed (17997069)
Roles Classification
Biological Role:
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 Relation(s)
7-demethylsuberosin (CHEBI:69042) has role plant metabolite (CHEBI:76924)
7-demethylsuberosin (CHEBI:69042) is a hydroxycoumarin (CHEBI:37912)
Incoming Relation(s)
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
Synonym  Source
7-hydroxy-6-prenylcoumarinChEBI
UniProt Name  Source
demethylsuberosinUniProt
Manual XrefsDatabases
C18083KEGG COMPOUND
C00030108KNApSAcK
CPD-8192MetaCyc
Registry NumbersSources
Reaxys:188724Reaxys
CAS:21422-04-8ChemIDplus
CAS:21422-04-8KEGG COMPOUND
Citations