CHEBI:4536 - diffutin

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ChEBI Name diffutin
ChEBI ID CHEBI:4536
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H28O10
Net Charge 0
Average Mass 464.46240
Monoisotopic Mass 464.16825
InChI InChI=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
InChIKey ZNWIOJJMPZWSQO-YRDUZITASA-N
SMILES COc1ccc(cc1OC)[C@@H]1CCc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc2O1
Metabolite of Species Details
Hoppea dichotoma (NCBI:txid84897) See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing diffutin (CHEBI:4536) has functional parent (2S)-flavan (CHEBI:36103)
diffutin (CHEBI:4536) has role plant metabolite (CHEBI:76924)
diffutin (CHEBI:4536) is a β-D-glucoside (CHEBI:22798)
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)
IUPAC Name
(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-5-yl β-D-glucopyranoside
Manual Xrefs Databases
C00008768 KNApSAcK
C09636 KEGG COMPOUND
Diffutin Wikipedia
LMPK12020267 LIPID MAPS
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Registry Numbers Types Sources
6549261 Reaxys Registry Number Reaxys
89289-91-8 CAS Registry Number KEGG COMPOUND
Last Modified
04 June 2015