CHEBI:82204 - (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
ChEBI ID CHEBI:82204
ChEBI ASCII Name (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
Definition A 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has R configuration at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
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-HNHGDDPOSA-N
SMILES C=C([C@H]1CC(OC(CC1)(C)O)=O)C
ChEBI Ontology
Outgoing (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82204) is a 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:64274)
Incoming (3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287) has functional parent (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82204)
(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)
(4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138363) is a (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82204)
IUPAC Name
(4R)-7-hydroxy-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
Synonym Source
(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one KEGG COMPOUND
Manual Xrefs Databases
C19079 KEGG COMPOUND
CPD-10059 MetaCyc
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Last Modified
05 September 2017