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CHEBI:138596 - (4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

ChEBI IDCHEBI:138596
ChEBI Name(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
Stars
ASCII Name(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
DefinitionA (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one in which the stereocentre at position 7 has S-configuration.
Last Modified20 November 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-/m0/s1
InChIKeyZZVPZXLETLTSEB-WPRPVWTQSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138596) has functional parent (1R,4S)-1-hydroxylimonen-2-one (CHEBI:50245)
(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138596) is a (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207)
IUPAC Name 
(4S,7S)-7-hydroxy-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
UniProt Name  Source
(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-oneUniProt