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ChEBI
> Main
CHEBI:17096 - strictosidine aglycone
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ChEBI Ontology
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ChEBI Name
strictosidine aglycone
ChEBI ID
CHEBI:17096
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:26793, CHEBI:9289, CHEBI:15123
Supplier Information
Download
Molfile
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Molfile
Formula
C21H24N2O4
Net Charge
0
Average Mass
368.433
Monoisotopic Mass
368.17361
InChI
InChI=1S/C21H24N2O4/c1-
3-
12-
15(16(20(24)
26-
2)
11-
27-
21(12)
25)
10-
18-
19-
14(8-
9-
22-
18)
13-
6-
4-
5-
7-
17(13)
23-
19/h3-
7,11-
12,15,18,21-
23,25H,1,8-
10H2,2H3/t12-
,15+,18+,21-
/m1/s1
InChIKey
HXLWDALZXJIPSY-LPIRWUFSSA-N
SMILES
[H][C@@]1(C[C@]2([H])C(=CO[C@@H](O)[C@]2([H])C=C)C(=O)OC)NCCC2=C1NC1=C2C=CC=C1
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
strictosidine aglycone (
CHEBI:17096
)
is a
alkaloid ester (
CHEBI:38481
)
strictosidine aglycone (
CHEBI:17096
)
is a
indole alkaloid (
CHEBI:38958
)
strictosidine aglycone (
CHEBI:17096
)
is a
methyl ester (
CHEBI:25248
)
strictosidine aglycone (
CHEBI:17096
)
is conjugate base of
strictosidine aglycone(1+) (
CHEBI:58012
)
Incoming
strictosidine aglycone(1+) (
CHEBI:58012
)
is conjugate acid of
strictosidine aglycone (
CHEBI:17096
)
IUPAC Name
methyl (2
R
,3
R
,4
S
)-
3-
ethenyl-
2-
hydroxy-
4-
{[(1
S
)-
2,3,4,9-
tetrahydro-
1
H
-
pyrido[3,4-
b
]indol-
1-
yl]methyl}-
3,4-
dihydro-
2
H
-
pyran-
5-
carboxylate
Synonym
Source
Strictosidine aglycone
KEGG COMPOUND
Manual Xref
Database
C03309
KEGG COMPOUND
View more database links
Registry Number
Type
Source
85925-13-9
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
29424954
PubMed citation
Europe PMC
Last Modified
07 July 2022