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CHEBI:138363 - (4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

ChEBI IDCHEBI:138363
ChEBI Name(4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
Stars
ASCII Name(4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
DefinitionA (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has S configuration at position 7.
Last Modified6 September 2017
Submitterlaimo
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILESC=C(C)[C@@H]1CC[C@@](C)(O)OC(=O)C1
InChIInChI=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
InChIKeyZZVPZXLETLTSEB-SCZZXKLOSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138363) has functional parent (1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249)
(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)
(4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138363) is enantiomer of (4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138362)
Incoming Relation(s)
(3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211) has functional parent (4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138363)
(4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138362) is enantiomer of (4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138363)
IUPAC Name 
(4R,7S)-7-hydroxy-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
UniProt Name  Source
(4R,7S)-4-isopropenyl-7-hydroxy-7-methyloxepan-2-oneUniProt
Manual XrefsDatabases
CPD-10059MetaCyc