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:10029 - WIN54954
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
WIN54954
ChEBI ID
CHEBI:10029
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
C18H20Cl2N2O3
Net Charge
0
Average Mass
383.270
Monoisotopic Mass
382.08510
InChI
InChI=1S/C18H20Cl2N2O3/c1-
12-
9-
14(25-
22-
12)
5-
3-
2-
4-
7-
23-
17-
15(19)
10-
13(11-
16(17)
20)
18-
21-
6-
8-
24-
18/h9-
11H,2-
8H2,1H3
InChIKey
JJDHAOLOHQTGMG-UHFFFAOYSA-N
SMILES
Cc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C2=NCCO2)on1
ChEBI Ontology
Outgoing
WIN54954 (
CHEBI:10029
)
is a
aromatic ether (
CHEBI:35618
)
Synonyms
Sources
5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole
KEGG COMPOUND
WIN54954
KEGG COMPOUND
Manual Xrefs
Databases
C06493
KEGG COMPOUND
W54
PDBeChem
View more database links
Last Modified
28 July 2014