Pandamarilactonine A (CHEBI:174313)

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	Pandamarilactonine A

ChEBI ID	CHEBI:174313

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H23NO4

Net Charge

Average Mass

317.385

Monoisotopic Mass

317.16271

InChI

InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3

InChIKey

HSICZNIIIPFAAO-UHFFFAOYSA-N

SMILES

O1C(C2N(CCC2)CCCC=C3OC(=O)C(=C3)C)C=C(C1=O)C

ChEBI Ontology
Outgoing	Pandamarilactonine A (CHEBI:174313) is a butenolide (CHEBI:50523)

IUPAC Name

3-methyl-5-[4-[2-(4-methyl-5-oxo-2H-uran-2-yl)pyrrolidin-1-yl]butylidene]uran-2-one