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CHEBI:82207 - (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

ChEBI IDCHEBI:82207
ChEBI Name(4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
Stars
ASCII Name(4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
DefinitionA 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has S configuration at position 4.
Last Modified5 September 2017
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILESC=C(C)[C@H]1CCC(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-PEHGTWAWSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207) is a 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:64274)
Incoming Relation(s)
(3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) has functional parent (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207)
(4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138362) is a (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207)
(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)
Synonym  Source
(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-oneKEGG COMPOUND
Manual XrefsDatabases
C19084KEGG COMPOUND
CPD-10060MetaCyc