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:95325 - LSM-6681
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
LSM-6681
ChEBI ID
CHEBI:95325
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
C22H23NO5
Net Charge
0
Average Mass
381.423
Monoisotopic Mass
381.15762
InChI
InChI=1S/C22H23NO5/c1-
26-
18-
13-
16(14-
19(27-
2)
21(18)
28-
3)
9-
11-
20(24)
23-
12-
4-
5-
17(22(23)
25)
10-
8-
15-
6-
7-
15/h5,9,11,13-
15H,4,6-
7,12H2,1-
3H3
InChIKey
QJMFPDBBSFMUCX-UHFFFAOYSA-N
SMILES
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=C(C2=O)C#CC3CC3
ChEBI Ontology
Outgoing
LSM-6681 (
CHEBI:95325
)
has functional parent
cinnamic acid (
CHEBI:27386
)
LSM-6681 (
CHEBI:95325
)
is a
olefinic compound (
CHEBI:78840
)
Manual Xref
Database
LSM-6681
LINCS
View more database links