EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210149 - Aspergilsmin F

ChEBI IDCHEBI:210149
ChEBI NameAspergilsmin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O5
Net Charge0
Average Mass200.190
Monoisotopic Mass200.06847
SMILESCO[C@@H]1OCC[C@]2(OC)OC(=O)C=C12
InChIInChI=1S/C9H12O5/c1-11-8-6-5-7(10)14-9(6,12-2)3-4-13-8/h5,8H,3-4H2,1-2H3/t8-,9+/m1/s1
InChIKeyBRIJMHXYHLRFCT-BDAKNGLRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32517237)
ChEBI Ontology
Outgoing Relation(s)
Aspergilsmin F (CHEBI:210149) is a ketal (CHEBI:59777)
IUPAC Name 
(4R,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-uro[3,2-c]pyran-2-one