CHEBI:177096 - Acetal R

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Acetal R
ChEBI ID CHEBI:177096
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H20O2
Net Charge 0
Average Mass 208.301
Monoisotopic Mass 208.14633
InChI InChI=1S/C13H20O2/c1-3-10-14-12(2)15-11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKey FMYCPRQGKSONCP-UHFFFAOYSA-N
SMILES O(C(OCCC)C)CCC1=CC=CC=C1
Metabolite of Species Details
Bos grunniens (NCBI:txid30521) Found in subcutaneous adipose tissue (BTO:0004042).
ChEBI Ontology
Outgoing Acetal R (CHEBI:177096) is a benzenes (CHEBI:22712)
IUPAC Name
2-(1-propoxyethoxy)ethylbenzene
Manual Xrefs Databases
55332 ChemSpider
HMDB0036824 HMDB
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Registry Number Type Source
7493-57-4 CAS Registry Number ChemIDplus