Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:17286 - deacetylisoipecoside
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
deacetylisoipecoside
ChEBI ID
CHEBI:17286
Definition
Isoipecoside in which the acetyl group attaced to the nitrogen is replaced by hydrogen.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14102, CHEBI:23566, CHEBI:4338
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C25H33NO11
Net Charge
0
Average Mass
523.52960
Monoisotopic Mass
523.20536
InChI
InChI=1S/C25H33NO11/c1-
3-
12-
14(7-
16-
13-
8-
18(29)
17(28)
6-
11(13)
4-
5-
26-
16)
15(23(33)
34-
2)
10-
35-
24(12)
37-
25-
22(32)
21(31)
20(30)
19(9-
27)
36-
25/h3,6,8,10,12,14,16,19-
22,24-
32H,1,4-
5,7,9H2,2H3/t12-
,14+,16+,19-
,20-
,21+,22-
,24+,25+/m1/s1
InChIKey
MTAVTRZTGFLKSC-ONGZBVEHSA-N
SMILES
[H]
[C@@]
1(C[C@]
2([H]
)
C(=CO[C@@H]
(O[C@@H]
3O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
3O)
[C@]
2([H]
)
C=C)
C(=O)
OC)
NCCc2cc(O)
c(O)
cc12
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.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
deacetylisoipecoside (
CHEBI:17286
)
is a
β-
D
-glucoside (
CHEBI:22798
)
deacetylisoipecoside (
CHEBI:17286
)
is a
isoquinoline alkaloid (
CHEBI:24921
)
deacetylisoipecoside (
CHEBI:17286
)
is a
isoquinolines (
CHEBI:24922
)
deacetylisoipecoside (
CHEBI:17286
)
is a
methyl ester (
CHEBI:25248
)
deacetylisoipecoside (
CHEBI:17286
)
is conjugate base of
deacetylisoipecoside(1+) (
CHEBI:58091
)
Incoming
deacetylisoipecoside(1+) (
CHEBI:58091
)
is conjugate acid of
deacetylisoipecoside (
CHEBI:17286
)
IUPAC Name
methyl (2
S
,3
R
,4
S
)-
3-
ethenyl-
4-
{[(1
S
)-
6,7-
dihydroxy-
1,2,3,4-
tetrahydroisoquinolin-
1-
yl]methyl}-
2-
(β-
D
-
glucopyranosyloxy)-
3,4-
dihydro-
2
H
-
pyran-
5-
carboxylate
Synonym
Source
Deacetylisoipecoside
KEGG COMPOUND
Manual Xref
Database
C07304
KEGG COMPOUND
View more database links
Registry Number
Type
Source
5787005
Beilstein Registry Number
Beilstein
Last Modified
15 February 2024