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ChEBI
> Main
CHEBI:2881 - asperuloside
Main
ChEBI Ontology
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ChEBI Name
asperuloside
ChEBI ID
CHEBI:2881
Definition
A iridoid monoterpenoid glycoside isolated from
Galium verum
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H22O11
Net Charge
0
Average Mass
414.36070
Monoisotopic Mass
414.11621
InChI
InChI=1S/C18H22O11/c1-
6(20)
25-
4-
7-
2-
9-
12-
8(16(24)
27-
9)
5-
26-
17(11(7)
12)
29-
18-
15(23)
14(22)
13(21)
10(3-
19)
28-
18/h2,5,9-
15,17-
19,21-
23H,3-
4H2,1H3/t9-
,10+,11+,12-
,13+,14-
,15+,17-
,18-
/m0/s1
InChIKey
IBIPGYWNOBGEMH-DILZHRMZSA-N
SMILES
[H]
[C@]
12OC(=O)
C3=CO[C@@H]
(O[C@@H]
4O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
4O)
[C@]
([H]
)
(C(COC(C)
=O)
=C1)
[C@]
23[H]
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
asperuloside (
CHEBI:2881
)
has role
metabolite (
CHEBI:25212
)
asperuloside (
CHEBI:2881
)
is a
β-
D
-glucoside (
CHEBI:22798
)
asperuloside (
CHEBI:2881
)
is a
γ-lactone (
CHEBI:37581
)
asperuloside (
CHEBI:2881
)
is a
acetate ester (
CHEBI:47622
)
asperuloside (
CHEBI:2881
)
is a
iridoid monoterpenoid (
CHEBI:50563
)
asperuloside (
CHEBI:2881
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
[(2a
S
,4a
S
,5
S
,7b
S
)-
5-
(β-
D
-
glucopyranosyloxy)-
1-
oxo-
2a,4a,5,7b-
tetrahydro-
1
H
-
2,6-
dioxacyclopenta[
cd
]inden-
4-
yl]methyl acetate
Manual Xrefs
Databases
C00003072
KNApSAcK
C09769
KEGG COMPOUND
JP2009209088
Patent
View more database links
Registry Numbers
Types
Sources
1302815
Reaxys Registry Number
Reaxys
14259-45-1
CAS Registry Number
KEGG COMPOUND
14259-45-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
14220867
PubMed citation
Europe PMC
14220877
PubMed citation
Europe PMC
14915952
PubMed citation
Europe PMC
17396882
PubMed citation
Europe PMC
4391591
PubMed citation
Europe PMC
5815526
PubMed citation
Europe PMC
Last Modified
28 July 2014