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CHEBI:223671 - Peniciisocoumarin G

ChEBI IDCHEBI:223671
ChEBI NamePeniciisocoumarin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESCC(=O)OCCC[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C14H16O5/c1-9(15)18-7-3-5-11-8-10-4-2-6-12(16)13(10)14(17)19-11/h2,4,6,11,16H,3,5,7-8H2,1H3/t11-/m1/s1
InChIKeyOHMYJINCWDRKPS-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30990038)
ChEBI Ontology
Outgoing Relation(s)
Peniciisocoumarin G (CHEBI:223671) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
3-[(3R)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]propyl acetate
Manual XrefsDatabases
74832021ChemSpider