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:80741 - Coumachlor
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Coumachlor
ChEBI ID
CHEBI:80741
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
C19H15ClO4
Net Charge
0
Average Mass
342.77300
Monoisotopic Mass
342.06589
InChI
InChI=1S/C19H15ClO4/c1-
11(21)
10-
15(12-
6-
8-
13(20)
9-
7-
12)
17-
18(22)
14-
4-
2-
3-
5-
16(14)
24-
19(17)
23/h2-
9,15,22H,10H2,1H3
InChIKey
DEKWZWCFHUABHE-UHFFFAOYSA-N
SMILES
CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O
ChEBI Ontology
Outgoing
Coumachlor (
CHEBI:80741
)
is a
hydroxycoumarin (
CHEBI:37912
)
Manual Xrefs
Databases
179
PPDB
C16805
KEGG COMPOUND
View more database links
Registry Number
Type
Source
81-82-3
CAS Registry Number
KEGG COMPOUND