CHEBI:214555 - Pregaliellalactone F

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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 Pregaliellalactone F
ChEBI ID CHEBI:214555
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H16O3
Net Charge 0
Average Mass 196.246
Monoisotopic Mass 196.10994
InChI InChI=1S/C11H16O3/c1-3-5-8-6-10(14-11(8)13)7-9(12)4-2/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKey QTIQVWDNPDEMAS-JTQLQIEISA-N
SMILES O=C1O[C@H](CC(=O)CC)C=C1CCC
ChEBI Ontology
Outgoing Pregaliellalactone F (CHEBI:214555) is a butenolide (CHEBI:50523)
IUPAC Name
(2R)-2-(2-oxobutyl)-4-propyl-2H-uran-5-one
Manual Xref Database
78442318 ChemSpider
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