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CHEBI:17529 - kievitone hydrate

ChEBI IDCHEBI:17529
ChEBI Namekievitone hydrate
Stars
DefinitionA hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a 3-hydroxy-3-methylbutyl group at position 8.
Secondary ChEBI IDsCHEBI:6136, CHEBI:14494, CHEBI:24985
Last Modified1 September 2015
DownloadsMolfile
FormulaC20H22O7
Net Charge0
Average Mass374.389
Monoisotopic Mass374.13655
SMILESCC(C)(O)CCc1c(O)cc(O)c2c1OCC(c1ccc(O)cc1O)C2=O
InChIInChI=1S/C20H22O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-8,13,21-24,26H,5-6,9H2,1-2H3
InChIKeyQISUKJAAXYVLMA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
kievitone hydrate (CHEBI:17529) has functional parent kievitone (CHEBI:16832)
kievitone hydrate (CHEBI:17529) is a hydroxyisoflavanone (CHEBI:72739)
kievitone hydrate (CHEBI:17529) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-one
Synonym  Source
Kievitone hydrateKEGG COMPOUND
UniProt Name  Source
kievitone hydrateUniProt
Manual XrefsDatabases
C02549KEGG COMPOUND
CPD-34MetaCyc
HMDB0038111HMDB
C00020635KNApSAcK
Registry NumbersSources
Reaxys:1333051Reaxys
CAS:62682-11-5KEGG COMPOUND
Citations