CHEBI:138383 - (4S,7R)-7-isopropyl-4-methyloxepan-2-one

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ChEBI Name (4S,7R)-7-isopropyl-4-methyloxepan-2-one ChEBI ID CHEBI:138383 ChEBI ASCII Name (4S,7R)-7-isopropyl-4-methyloxepan-2-one Definition A 7-isopropyl-4-methyloxepan-2-one that has 4S,7R configuration. Stars This entity has been manually annotated by the ChEBI Team. Submitter laimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H18O2 Net Charge 0 Average Mass 170.249 Monoisotopic Mass 170.13068 InChI InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1 InChIKey GGAXPLCKKANQED-DTWKUNHWSA-N SMILES C[C@@H]1CC(O[C@H](CC1)C(C)C)=O ChEBI Ontology Outgoing (4S,7R)-7-isopropyl-4-methyloxepan-2-one (CHEBI:138383) has functional parent (+)-menthone (CHEBI:31) (4S,7R)-7-isopropyl-4-methyloxepan-2-one (CHEBI:138383) is a 7-isopropyl-4-methyloxepan-2-one (CHEBI:50243) (4S,7R)-7-isopropyl-4-methyloxepan-2-one (CHEBI:138383) is enantiomer of (4R,7S)-7-isopropyl-4-methyloxepan-2-one (CHEBI:50250) Incoming (4R,7S)-7-isopropyl-4-methyloxepan-2-one (CHEBI:50250) is enantiomer of (4S,7R)-7-isopropyl-4-methyloxepan-2-one (CHEBI:138383) IUPAC Names (4S,7R)-4-methyl-7-(propan-2-yl)oxepan-2-one (4S,7R)-7-isopropyl-4-methyloxepan-2-one Synonyms Sources (3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid lactone ChEBI (4S,7R)-7-isopropyl-4-methyloxepan-2-one UniProt (4S-trans)-7-isopropyl-4-methyloxepan-2-one ChEBI Manual Xref Database CPD-10108 MetaCyc View more database links Registry Number Type Source 5329546 Reaxys Registry Number Reaxys Citations Types Sources 10769172 PubMed citation SUBMITTER 17520139 PubMed citation Europe PMC 26771671 PubMed citation Europe PMC Last Modified 06 September 2017