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:9860 - Umbellulone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Umbellulone
ChEBI ID
CHEBI:9860
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
C10H14O
Net Charge
0
Average Mass
150.218
Monoisotopic Mass
150.10447
InChI
InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3/t8-,10+/m0/s1
InChIKey
LTTVJAQLCIHAFV-WCBMZHEXSA-N
SMILES
CC(C)[C@]12C[C@H]1C(C)=CC2=O
ChEBI Ontology
Outgoing
Umbellulone (
CHEBI:9860
)
is a
ketone (
CHEBI:17087
)
Synonyms
Sources
(-)-Umbellulone
KEGG COMPOUND
Umbellulone
KEGG COMPOUND
Manual Xrefs
Databases
C00003066
KNApSAcK
C00011054
KNApSAcK
C09911
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
24545-81-1
CAS Registry Number
KEGG COMPOUND
546-78-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014