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:6777 - Mesembrenone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Mesembrenone
ChEBI ID
CHEBI:6777
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
C17H21NO3
Net Charge
0
Average Mass
287.354
Monoisotopic Mass
287.15214
InChI
InChI=1S/C17H21NO3/c1-
18-
9-
8-
17(7-
6-
13(19)
11-
16(17)
18)
12-
4-
5-
14(20-
2)
15(10-
12)
21-
3/h4-
7,10,16H,8-
9,11H2,1-
3H3/t16-
,17-
/m0/s1
InChIKey
HDNHBCSWFYFPAN-IRXDYDNUSA-N
SMILES
COc1ccc(cc1OC)[C@]12CCN(C)[C@H]1CC(=O)C=C2
ChEBI Ontology
Outgoing
Mesembrenone (
CHEBI:6777
)
is a
pyrrolidines (
CHEBI:38260
)
Synonym
Source
Mesembrenone
KEGG COMPOUND
Manual Xrefs
Databases
C00001748
KNApSAcK
C09223
KEGG COMPOUND
View more database links
Registry Number
Type
Source
80287-15-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014