CHEBI:179942 - 3-Hydroxyoctan-2-one

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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 3-Hydroxyoctan-2-one
ChEBI ID CHEBI:179942
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H16O2
Net Charge 0
Average Mass 144.214
Monoisotopic Mass 144.11503
InChI InChI=1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h8,10H,3-6H2,1-2H3
InChIKey QWEHQNZGVUHHME-UHFFFAOYSA-N
SMILES OC(CCCCC)C(=O)C
ChEBI Ontology
Outgoing 3-Hydroxyoctan-2-one (CHEBI:179942) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
3-hydroxyoctan-2-one
Manual Xrefs Databases
4933945 ChemSpider
HMDB0032335 HMDB
LMFA12000125 LIPID MAPS
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Registry Number Type Source
37160-77-3 CAS Registry Number ChemIDplus