EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181878 - 4,5-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione

ChEBI IDCHEBI:181878
ChEBI Name4,5-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23NO6
Net Charge0
Average Mass325.361
Monoisotopic Mass325.15254
SMILESCC1C(=O)OCC2=CCN3CCC(OC(=O)C(C)(O)C1(C)O)C23
InChIInChI=1S/C16H23NO6/c1-9-13(18)22-8-10-4-6-17-7-5-11(12(10)17)23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3
InChIKeyWOPYGCANEAIOEM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4,5-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione (CHEBI:181878) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
4,5-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Manual XrefsDatabases
29814173ChemSpider