CHEBI:82111 - Crufomate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Crufomate
ChEBI ID CHEBI:82111
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H19ClNO3P
Net Charge 0
Average Mass 291.71100
Monoisotopic Mass 291.079
InChI InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)
InChIKey BOFHKBLZOYVHSI-UHFFFAOYSA-N
SMILES CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C
ChEBI Ontology
Outgoing Crufomate (CHEBI:82111) is a alkylbenzene (CHEBI:38976)
Manual Xrefs Databases
1276 VSDB
C18972 KEGG COMPOUND
D03610 KEGG DRUG
View more database links
Registry Number Type Source
299-86-5 CAS Registry Number KEGG COMPOUND