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:67510 - 18-demethylgardfloramine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
18-demethylgardfloramine
ChEBI ID
CHEBI:67510
Definition
A natural product found in
Gardneria ovata
.
Stars
This entity has been manually annotated by a third party.
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
C21H22N2O5
Net Charge
0
Average Mass
382.40980
Monoisotopic Mass
382.15287
InChI
InChI=1S/C21H22N2O5/c1-
25-
19-
17-
13(5-
15-
18(19)
28-
9-
27-
15)
22-
20-
21(17)
6-
14-
12(8-
26-
20)
11-
4-
16(21)
23(14)
7-
10(11)
2-
3-
24/h2,5,11-
12,14,16,24H,3-
4,6-
9H2,1H3/b10-
2+/t11-
,12-
,14-
,16-
,21-
/m0/s1
InChIKey
UNRLUEYVDLNGBH-PZITXNDWSA-N
SMILES
[H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C/CO)=Nc1cc2OCOc2c(OC)c41
Metabolite of Species
Details
Gardneria ovata
(NCBI:txid84944)
Found in aerial part
(BTO:0001658)
. 90% methanolic extract of air-dried and powdered aerial parts See:
PubMed
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
18-demethylgardfloramine (
CHEBI:67510
)
has role
metabolite (
CHEBI:25212
)
18-demethylgardfloramine (
CHEBI:67510
)
is a
tropane alkaloid (
CHEBI:37332
)
Citation
Type
Source
21425787
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:indolizines(CHEBI:38485); ISA:indoles(CHEBI:24828); ISA:benzodioxoles(CHEBI:38298); ISA:methoxybenzene(CHEBI:51683); ISA:quinuclidines(CHEBI:26518); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:oxacycle(CHEBI:38104); ISA:piperidines(CHEBI:26151); ISA:imidate(CHEBI:52479); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:tertiary amine(CHEBI:32876); ISA:acetal(CHEBI:59769); ISA:dipolar compound(CHEBI:51151); ISA:primary alcohol(CHEBI:15734);