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CHEBI:207604 - Penicisoquinoline

ChEBI IDCHEBI:207604
ChEBI NamePenicisoquinoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15NO4
Net Charge0
Average Mass273.288
Monoisotopic Mass273.10011
SMILESCC(C)[C@]1(O)Oc2c(ccc3cc(CO)ncc23)C1=O
InChIInChI=1S/C15H15NO4/c1-8(2)15(19)14(18)11-4-3-9-5-10(7-17)16-6-12(9)13(11)20-15/h3-6,8,17,19H,7H2,1-2H3/t15-/m0/s1
InChIKeyKQLMNYPZKDINDZ-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2010.04.073)
ChEBI Ontology
Outgoing Relation(s)
Penicisoquinoline (CHEBI:207604) is a isoquinolines (CHEBI:24922)
IUPAC Name 
2-hydroxy-7-(hydroxymethyl)-2-propan-2-yluro[3,2-h]isoquinolin-3-one
Manual XrefsDatabases
27024872ChemSpider