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CHEBI:27669 - neoastilbin

ChEBI IDCHEBI:27669
ChEBI Nameneoastilbin
Stars
DefinitionA flavanone glycoside that is (−)-taxifolin substituted by a α-L-rhamnosyl moiety at position 3 via a glycosidic linkage.
Secondary ChEBI IDsCHEBI:7499, CHEBI:25493
Last Modified6 April 2018
DownloadsMolfile
FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESC[C@@H]1O[C@@H](O[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20+,21-/m0/s1
InChIKeyZROGCCBNZBKLEL-MFSALPCASA-N
ChEBI Ontology
Outgoing Relation(s)
neoastilbin (CHEBI:27669) has functional parent (−)-taxifolin (CHEBI:41963)
neoastilbin (CHEBI:27669) is a 3'-hydroxyflavanones (CHEBI:48024)
neoastilbin (CHEBI:27669) is a 4'-hydroxyflavanones (CHEBI:140331)
neoastilbin (CHEBI:27669) is a flavanone glycoside (CHEBI:72730)
neoastilbin (CHEBI:27669) is a monosaccharide derivative (CHEBI:63367)
neoastilbin (CHEBI:27669) is a tetrahydroxyflavanone (CHEBI:38742)
neoastilbin (CHEBI:27669) is a α-L-rhamnoside (CHEBI:27848)
IUPAC Name 
(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-α-L-mannopyranoside
Synonyms  Source
NeoastilbinKEGG COMPOUND
(2S,3S)-Taxifolin 3-rhamnosideKEGG COMPOUND
(2S,3S)-dihydroquercetin 3-O-α-L-rhamnosideChEBI
Manual XrefsDatabases
C09803KEGG COMPOUND
C00008703KNApSAcK
C17449KEGG COMPOUND
Registry NumbersSources
Reaxys:100565Reaxys
CAS:29838-67-3KEGG COMPOUND
CAS:29838-67-3ChemIDplus
CAS:54081-47-9KEGG COMPOUND