CHEBI:229492 - (1S,2R,4R)-cinflubrolin

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (1S,2R,4R)-cinflubrolin ChEBI ID CHEBI:229492 ChEBI ASCII Name (1S,2R,4R)-cinflubrolin Definition The (1S,2R,4R)-isomer of cinflubrolin. Stars This entity has been manually annotated by the ChEBI Team. 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 C17H22BrFO2 Net Charge 0 Average Mass 357.263 Monoisotopic Mass 356.07872 InChI InChI=1S/C17H22BrFO2/c1-11(2)17-8-7-16(3,21-17)15(9-17)20-10-12-13(18)5-4-6-14(12)19/h4-6,11,15H,7-10H2,1-3H3/t15-,16+,17-/m1/s1 InChIKey COHOXAPLFQQAGA-IXDOHACOSA-N SMILES CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(F)C=CC=C1Br Roles Classification Biological Role(s): volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. (via cineole ) View more via ChEBI Ontology ChEBI Ontology Outgoing (1S,2R,4R)-cinflubrolin (CHEBI:229492) is a 2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:229490) Incoming cinflubrolin (CHEBI:229487) has part (1S,2R,4R)-cinflubrolin (CHEBI:229492) IUPAC Name (1S,2R,4R)-2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane Synonym Source (1S,2R,4R)-2-[(2-bromo-6-fluorophenyl)methoxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane IUPAC Registry Number Type Source 2984507-30-2 CAS Registry Number ChEBI Last Modified 30 January 2024