CHEBI:215939 - Pregaliellalactone C

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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 C
ChEBI ID CHEBI:215939
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12O3
Net Charge 0
Average Mass 156.181
Monoisotopic Mass 156.07864
InChI InChI=1S/C8H12O3/c1-2-3-6-4-7(5-9)11-8(6)10/h4,7,9H,2-3,5H2,1H3/t7-/m1/s1
InChIKey VSXDPQGEFUUZBK-SSDOTTSWSA-N
SMILES O=C1O[C@@H](CO)C=C1CCC
ChEBI Ontology
Outgoing Pregaliellalactone C (CHEBI:215939) is a butenolide (CHEBI:50523)
IUPAC Name
(2R)-2-(hydroxymethyl)-4-propyl-2H-uran-5-one
Manual Xref Database
78442362 ChemSpider
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