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CHEBI:5018 - ferreirin

ChEBI IDCHEBI:5018
ChEBI Nameferreirin
Stars
DefinitionA hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 2' and a methoxy group at position 4' respectively.
Last Modified23 June 2015
DownloadsMolfile
FormulaC16H14O6
Net Charge0
Average Mass302.282
Monoisotopic Mass302.07904
SMILESCOc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(O)c1
InChIInChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3
InChIKeyCBEPNYOFLRIAGR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gynerium sagittatum (ncbitaxon:42053) - PubMed (17442349)
Cajanus cajan (ncbitaxon:3821) - PubMed (136119)
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)
ferreirin (CHEBI:5018) has functional parent isoflavanone (CHEBI:27945)
ferreirin (CHEBI:5018) has role plant metabolite (CHEBI:76924)
ferreirin (CHEBI:5018) is a hydroxyisoflavanone (CHEBI:72739)
ferreirin (CHEBI:5018) is a methoxyisoflavanone (CHEBI:72740)
IUPAC Name 
5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
Synonym  Source
2,3-Dihydro-5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-oneKEGG COMPOUND
Manual XrefsDatabases
C10419KEGG COMPOUND
C00002524KNApSAcK
HMDB0031657HMDB
LMPK12050501LIPID MAPS
Registry NumbersSources
Reaxys:324262Reaxys
CAS:32898-79-6KEGG COMPOUND
Citations