CHEBI:228 - (4R,7R)-4-isopropenyl-7-methyloxepan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4R,7R)-4-isopropenyl-7-methyloxepan-2-one
ChEBI ID CHEBI:228
ChEBI ASCII Name (4R,7R)-4-isopropenyl-7-methyloxepan-2-one
Definition The (4R,7R)-stereoisomer of 4-isopropenyl-7-methyloxepan-2-one.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H16O2
Net Charge 0
Average Mass 168.23284
Monoisotopic Mass 168.11503
InChI InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
InChIKey DNWZWUWUDAGNJB-RKDXNWHRSA-N
SMILES C[C@@H]1CC[C@H](CC(=O)O1)C(C)=C
ChEBI Ontology
Outgoing (4R,7R)-4-isopropenyl-7-methyloxepan-2-one (CHEBI:228) is a 4-isopropenyl-7-methyloxepan-2-one (CHEBI:50238)
IUPAC Name
(4R,7R)-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
Synonyms Sources
(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone KEGG COMPOUND
(4R,7R)-4-isopropenyl-7-methyloxepan-2-one UniProt
(4R,7R)-7-methyl-4-(1-methylethen-1-yl)oxepan-2-one IUPAC
(4R,7R)-7-methyl-4-(1-methylethenyl)oxepan-2-one ChEBI
Manual Xref Database
C11402 KEGG COMPOUND
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Registry Number Type Source
11141198 Reaxys Registry Number Reaxys
Last Modified
29 January 2015