EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215031 - Aspernidine G

ChEBI IDCHEBI:215031
ChEBI NameAspernidine G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31NO5
Net Charge0
Average Mass413.514
Monoisotopic Mass413.22022
SMILESC=C(C)C(=O)CC/C(C)=C/CC/C(C)=C/COc1c(OC)cc2c(c1O)CNC2=O
InChIInChI=1S/C24H31NO5/c1-15(2)20(26)10-9-16(3)7-6-8-17(4)11-12-30-23-21(29-5)13-18-19(22(23)27)14-25-24(18)28/h7,11,13,27H,1,6,8-10,12,14H2,2-5H3,(H,25,28)/b16-7+,17-11+
InChIKeyKYPFYLFBEQIHIR-WPNGSOMFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (31707275)
ChEBI Ontology
Outgoing Relation(s)
Aspernidine G (CHEBI:215031) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-hydroxy-6-methoxy-5-[(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienoxy]-2,3-dihydroisoindol-1-one