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CHEBI:4536 - diffutin

ChEBI IDCHEBI:4536
ChEBI Namediffutin
Stars
DefinitionA flavan glycoside that is (2S)-flavan substituted by a hydroxy group at position 7, methoxy groups at positions 3' and 4' and a β-D-glucopyranosyloxy group at position 5 respectively.
Last Modified4 June 2015
DownloadsMolfile
FormulaC23H28O10
Net Charge0
Average Mass464.467
Monoisotopic Mass464.16825
SMILESCOc1ccc([C@@H]2CCc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3O2)cc1OC
InChIInChI=1S/C23H28O10/c1-29-15-5-3-11(7-18(15)30-2)14-6-4-13-16(31-14)8-12(25)9-17(13)32-23-22(28)21(27)20(26)19(10-24)33-23/h3,5,7-9,14,19-28H,4,6,10H2,1-2H3/t14-,19+,20+,21-,22+,23+/m0/s1
InChIKeyZNWIOJJMPZWSQO-YRDUZITASA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Hoppea dichotoma (ncbitaxon:84897) - DOI (10.1016/S0031-9422(00)84903-1)
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)
diffutin (CHEBI:4536) has functional parent (2S)-flavan (CHEBI:36103)
diffutin (CHEBI:4536) has role plant metabolite (CHEBI:76924)
diffutin (CHEBI:4536) is a flavan glycoside (CHEBI:85938)
diffutin (CHEBI:4536) is a hydroxyflavan (CHEBI:72010)
diffutin (CHEBI:4536) is a methoxyflavan (CHEBI:72585)
diffutin (CHEBI:4536) is a monosaccharide derivative (CHEBI:63367)
diffutin (CHEBI:4536) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-5-yl β-D-glucopyranoside
Manual XrefsDatabases
C09636KEGG COMPOUND
C00008768KNApSAcK
LMPK12020267LIPID MAPS
DiffutinWikipedia
Registry NumbersSources
Reaxys:6549261Reaxys
CAS:89289-91-8KEGG COMPOUND