Pregaliellactone D (CHEBI:211114)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Pregaliellactone D

ChEBI ID	CHEBI:211114

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H14O3

Net Charge

Average Mass

170.208

Monoisotopic Mass

170.09429

InChI

InChI=1S/C9H14O3/c1-2-3-7-6-8(4-5-10)12-9(7)11/h6,8,10H,2-5H2,1H3/t8-/m0/s1

InChIKey

DSNQYUGROAYCIH-QMMMGPOBSA-N

SMILES

O=C1O[C@@H](CCO)C=C1CCC

ChEBI Ontology
Outgoing	Pregaliellactone D (CHEBI:211114) is a butenolide (CHEBI:50523)

IUPAC Name

(2S)-2-(2-hydroxyethyl)-4-propyl-2H-uran-5-one