EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205395 - Aspernidine B

ChEBI IDCHEBI:205395
ChEBI NameAspernidine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO4
Net Charge0
Average Mass385.504
Monoisotopic Mass385.22531
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(O)cc2c(c1O)CNC2=O
InChIInChI=1S/C23H31NO4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-28-22-20(25)13-18-19(21(22)26)14-24-23(18)27/h7,9,11,13,25-26H,5-6,8,10,12,14H2,1-4H3,(H,24,27)/b16-9+,17-11+
InChIKeyJHAFURLXNPRDRX-BTMZFSHUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (20661238)
ChEBI Ontology
Outgoing Relation(s)
Aspernidine B (CHEBI:205395) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4,6-dihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-2,3-dihydroisoindol-1-one
Manual XrefsDatabases
78434819ChemSpider