CHEBI:172074 - 6-Methyl-5-hepten-2-one propyleneglycol acetal

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ChEBI Name 6-Methyl-5-hepten-2-one propyleneglycol acetal
ChEBI ID CHEBI:172074
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C11H20O2
Net Charge 0
Average Mass 184.279
Monoisotopic Mass 184.14633
InChI InChI=1S/C11H20O2/c1-9(2)6-5-7-11(4)12-8-10(3)13-11/h6,10H,5,7-8H2,1-4H3
InChIKey WBZMYLUNPPFHTA-UHFFFAOYSA-N
SMILES O1C(OCC1C)(CCC=C(C)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Methyl-5-hepten-2-one propyleneglycol acetal (CHEBI:172074) is a ketal (CHEBI:59777)
IUPAC Name
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
Manual Xrefs Databases
98237 ChemSpider
HMDB0032404 HMDB
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Registry Number Type Source
68258-95-7 CAS Registry Number ChemIDplus