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CHEBI:69986 - 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one

ChEBI IDCHEBI:69986
ChEBI Name5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one
Stars
DefinitionA natural product found in Mammea americana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILESCCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c12
InChIInChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKeyVXFHCMCZMKQIMR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mammea americana (ncbitaxon:198777) stem (BTO:0001300) PubMed (21214226) Previous component: stem bark; Dichloromethane/Methanol (1:1) extract of dried stem bark
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one (CHEBI:69986) has role metabolite (CHEBI:25212)
5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one (CHEBI:69986) is a hydroxycoumarin (CHEBI:37912)
Synonyms  Source
5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-propyl-2H-benzopyran-2-oneChEBI
Mammea B/AAChEBI
IsomammeinChEBI
Manual XrefsDatabases
HMDB0030781HMDB
Registry NumbersSources
CAS:478-67-1ChemIDplus
Citations