CHEBI:138597 - (4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
ChEBI ID CHEBI:138597
ChEBI ASCII Name (4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
Definition A (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has R configuration at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C10H16O3
Net Charge 0
Average Mass 184.233
Monoisotopic Mass 184.10994
InChI InChI=1S/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10-/m1/s1
InChIKey ZZVPZXLETLTSEB-PSASIEDQSA-N
SMILES C1C(=O)O[C@](CC[C@H]1C(=C)C)(O)C
ChEBI Ontology
Outgoing (4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138597) has functional parent (1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249)
(4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138597) is a (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82204)
IUPAC Name
(4R,7R)-7-hydroxy-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
Synonym Source
(4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one UniProt
Last Modified
07 December 2017