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CHEBI:218033 - Eupenicillin A

ChEBI IDCHEBI:218033
ChEBI NameEupenicillin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCOc1cc(O)cc2c1C(=O)O[C@H](CO)C2
InChIInChI=1S/C11H12O5/c1-15-9-4-7(13)2-6-3-8(5-12)16-11(14)10(6)9/h2,4,8,12-13H,3,5H2,1H3/t8-/m0/s1
InChIKeyVAKHZMSIZBDNJR-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies 6A-9 (ncbitaxon:1586111) - DOI (10.1016/j.tetlet.2018.06.057)
ChEBI Ontology
Outgoing Relation(s)
Eupenicillin A (CHEBI:218033) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S)-6-hydroxy-3-(hydroxymethyl)-8-methoxy-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
71044342ChemSpider