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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:614 - 1-caffeoyl-β-
D
-glucose
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ChEBI Ontology
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ChEBI Name
1-caffeoyl-β-
D
-glucose
ChEBI ID
CHEBI:614
ChEBI ASCII Name
1-caffeoyl-beta-D-glucose
Definition
A cinnamate ester obtained by the formal condensation of the 1-hydroxy group of β-
D
-glucopyranose with the carboxy group of
trans
-caffeic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H18O9
Net Charge
0
Average Mass
342.29800
Monoisotopic Mass
342.09508
InChI
InChI=1S/C15H18O9/c16-
6-
10-
12(20)
13(21)
14(22)
15(23-
10)
24-
11(19)
4-
2-
7-
1-
3-
8(17)
9(18)
5-
7/h1-
5,10,12-
18,20-
22H,6H2/b4-
2+/t10-
,12-
,13+,14-
,15+/m1/s1
InChIKey
WQSDYZZEIBAPIN-VBQORRLJSA-N
SMILES
OC[C@H]1O[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Metabolite of Species
Details
Centella asiatica
(NCBI:txid48106)
See:
MetaboLights Study
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-caffeoyl-β-
D
-glucose (
CHEBI:614
)
has functional parent
trans
-caffeic acid (
CHEBI:16433
)
1-caffeoyl-β-
D
-glucose (
CHEBI:614
)
has role
plant metabolite (
CHEBI:76924
)
1-caffeoyl-β-
D
-glucose (
CHEBI:614
)
is a
β-
D
-glucoside (
CHEBI:22798
)
1-caffeoyl-β-
D
-glucose (
CHEBI:614
)
is a
catechols (
CHEBI:33566
)
1-caffeoyl-β-
D
-glucose (
CHEBI:614
)
is a
cinnamate ester (
CHEBI:36087
)
1-caffeoyl-β-
D
-glucose (
CHEBI:614
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
1-
O
-[(2
E
)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-
D
-glucopyranose
Synonym
Source
1-
O
-[(
E
)-caffeoyl]-β-
D
-glucose
UniProt
Manual Xrefs
Databases
C00002718
KNApSAcK
C10433
KEGG COMPOUND
HMDB0036937
HMDB
View more database links
Registry Numbers
Types
Sources
1295557
Reaxys Registry Number
Reaxys
14364-08-0
CAS Registry Number
KEGG COMPOUND
Last Modified
09 August 2019