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ChEBI
> Main
CHEBI:27613 - amygdalin
Main
ChEBI Ontology
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ChEBI Name
amygdalin
ChEBI ID
CHEBI:27613
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2690, CHEBI:22537
Supplier Information
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Formula
C20H27NO11
Net Charge
0
Average Mass
457.42852
Monoisotopic Mass
457.15841
InChI
InChI=1S/C20H27NO11/c21-
6-
10(9-
4-
2-
1-
3-
5-
9)
30-
20-
18(28)
16(26)
14(24)
12(32-
20)
8-
29-
19-
17(27)
15(25)
13(23)
11(7-
22)
31-
19/h1-
5,10-
20,22-
28H,7-
8H2/t10?,11-
,12-
,13-
,14-
,15+,16+,17-
,18-
,19-
,20-
/m1/s1
InChIKey
XUCIJNAGGSZNQT-SWRVSKMJSA-N
SMILES
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
cyanogenic glycoside
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
amygdalin (
CHEBI:27613
)
has functional parent
prunasin (
CHEBI:25150
)
amygdalin (
CHEBI:27613
)
has role
plant metabolite (
CHEBI:76924
)
amygdalin (
CHEBI:27613
)
is a
cyanogenic glycoside (
CHEBI:23436
)
amygdalin (
CHEBI:27613
)
is a
disaccharide derivative (
CHEBI:63353
)
amygdalin (
CHEBI:27613
)
is a
gentiobioside (
CHEBI:24215
)
Incoming
(
R
)-amygdalin (
CHEBI:17019
)
is a
amygdalin (
CHEBI:27613
)
IUPAC Name
[(6-
O
-
β-
D
-
glucopyranosyl-
β-
D
-
glucopyranosyl)oxy](phenyl)acetonitrile
Synonyms
Sources
amygdaloside
ChEBI
mandelonitrile-β-gentiobioside
ChEBI
Last Modified
25 May 2016