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CHEBI:210132 - Aspergilsmin B

ChEBI IDCHEBI:210132
ChEBI NameAspergilsmin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O5
Net Charge0
Average Mass200.190
Monoisotopic Mass200.06847
SMILESCOC(=O)CC1=COC[C@H](OC)C1=O
InChIInChI=1S/C9H12O5/c1-12-7-5-14-4-6(9(7)11)3-8(10)13-2/h4,7H,3,5H2,1-2H3/t7-/m0/s1
InChIKeyOMDCRJIFOSZFLZ-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32517237)
ChEBI Ontology
Outgoing Relation(s)
Aspergilsmin B (CHEBI:210132) is a pyranone (CHEBI:37963)
IUPAC Name 
methyl 2-(3-methoxy-4-oxo-2,3-dihydropyran-5-yl)acetate
Manual XrefsDatabases
85696862ChemSpider