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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:27669 - neoastilbin
Main
ChEBI Ontology
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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
(2
S
,3
S
)-
2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
4-
oxo-
3,4-
dihydro-
2
H
-
chromen-
3-
yl 6-
deoxy-
α-
L
-
mannopyranoside
Synonyms
Sources
(2
S
,3
S
)-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