CHEBI:145563 - exo-(+)-cinmethylin

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ChEBI Name exo-(+)-cinmethylin ChEBI ID CHEBI:145563 ChEBI ASCII Name exo-(+)-cinmethylin Definition A 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(+)-isomer of cinmethylin. 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 C18H26O2 Net Charge 0 Average Mass 274.404 Monoisotopic Mass 274.19328 InChI InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m1/s1 InChIKey QMTNOLKHSWIQBE-FGTMMUONSA-N SMILES C1[C@]2([C@@H](C[C@@](C(C)C)(C1)O2)OCC3=C(C=CC=C3)C)C 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 exo-(+)-cinmethylin (CHEBI:145563) is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562) exo-(+)-cinmethylin (CHEBI:145563) is enantiomer of exo-(−)-cinmethylin (CHEBI:145564) Incoming cinmethylin (CHEBI:3708) has part exo-(+)-cinmethylin (CHEBI:145563) exo-(−)-cinmethylin (CHEBI:145564) is enantiomer of exo-(+)-cinmethylin (CHEBI:145563) IUPAC Name (1S,2R,4R)-1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane Synonyms Sources (+)-2-exo-(2-methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane ChEBI (1S,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane IUPAC cinmethylin exo-(+)-isomer ChEBI Manual Xrefs Databases EP0081893 Patent EP3162209 Patent US4487945 Patent View more database links Registry Number Type Source 87818-61-9 CAS Registry Number ChEBI Last Modified 03 December 2019