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:81855 - Bromadiolone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Bromadiolone
ChEBI ID
CHEBI:81855
Stars
This entity has been manually annotated by a third party.
Supplier Information
ZINC000064512333
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C30H23BrO4
Net Charge
0
Average Mass
527.40500
Monoisotopic Mass
526.07797
InChI
InChI=1S/C30H23BrO4/c31-
23-
16-
14-
20(15-
17-
23)
19-
10-
12-
22(13-
11-
19)
26(32)
18-
25(21-
6-
2-
1-
3-
7-
21)
28-
29(33)
24-
8-
4-
5-
9-
27(24)
35-
30(28)
34/h1-
17,25-
26,32-
33H,18H2
InChIKey
OWNRRUFOJXFKCU-UHFFFAOYSA-N
SMILES
OC(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccc(cc1)-c1ccc(Br)cc1
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
diarylheptanoid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Bromadiolone (
CHEBI:81855
)
is a
diarylheptanoid (
CHEBI:78802
)
Manual Xrefs
Databases
89
PPDB
C18596
KEGG COMPOUND
View more database links
Registry Number
Type
Source
28772-56-7
CAS Registry Number
KEGG COMPOUND