CHEBI:208583 - Reutericyclin

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 Reutericyclin
ChEBI ID CHEBI:208583
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H31NO4
Net Charge 0
Average Mass 349.471
Monoisotopic Mass 349.22531
InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-11-12-17(23)21-16(13-14(2)3)19(24)18(15(4)22)20(21)25/h11-12,14,16,24H,5-10,13H2,1-4H3/b12-11+/t16-/m1/s1
InChIKey GNGSBVNLHSNSDF-LPQFERQCSA-N
SMILES O=C1N(C(=O)/C=C/CCCCCCC)[C@H](CC(C)C)C(=C1C(=O)C)O
ChEBI Ontology
Outgoing Reutericyclin (CHEBI:208583) is a dicarboximide (CHEBI:35356)
IUPAC Name
(2R)-4-acetyl-1-[(E)-dec-2-enoyl]-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one
Manual Xref Database
78438453 ChemSpider
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