CHEBI:27669 - neoastilbin

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ChEBI Name neoastilbin
ChEBI ID CHEBI:27669
Definition A flavanone glycoside that is (−)-taxifolin substituted by a α-L-rhamnosyl moiety at position 3 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:25493, CHEBI:7499
Supplier Information
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Formula C21H22O11
Net Charge 0
Average Mass 450.39278
Monoisotopic Mass 450.11621
InChI InChI=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
InChIKey ZROGCCBNZBKLEL-MFSALPCASA-N
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing neoastilbin (CHEBI:27669) has functional parent (−)-taxifolin (CHEBI:41963)
neoastilbin (CHEBI:27669) is a α-L-rhamnoside (CHEBI:27848)
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 enantiomer of astilbin (CHEBI:38200)
Incoming astilbin (CHEBI:38200) is enantiomer of neoastilbin (CHEBI:27669)
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 Sources
(2S,3S)-dihydroquercetin 3-O-α-L-rhamnoside ChEBI
(2S,3S)-Taxifolin 3-rhamnoside KEGG COMPOUND
Neoastilbin KEGG COMPOUND
Manual Xrefs Databases
C00008703 KNApSAcK
C09803 KEGG COMPOUND
C17449 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
100565 Reaxys Registry Number Reaxys
100565 Beilstein Registry Number Beilstein
29838-67-3 CAS Registry Number KEGG COMPOUND
29838-67-3 CAS Registry Number ChemIDplus
54081-47-9 CAS Registry Number KEGG COMPOUND
Last Modified
06 April 2018