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CHEBI:214185 - Pyrenoline A

ChEBI IDCHEBI:214185
ChEBI NamePyrenoline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15NO4
Net Charge0
Average Mass273.288
Monoisotopic Mass273.10011
SMILESCO[C@H]1CC(=O)c2c(cc3cc(C)ncc3c2O)[C@H]1O
InChIInChI=1S/C15H15NO4/c1-7-3-8-4-9-13(15(19)10(8)6-16-7)11(17)5-12(20-2)14(9)18/h3-4,6,12,14,18-19H,5H2,1-2H3/t12-,14+/m0/s1
InChIKeyYIGYNXVYHOYKJA-GXTWGEPZSA-N
Species of MetaboliteComponentSourceComments
Pyrenophora teres (ncbitaxon:53485) - DOI (10.1016/0040-4039(90)80086-2)
ChEBI Ontology
Outgoing Relation(s)
Pyrenoline A (CHEBI:214185) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
Manual XrefsDatabases
78440376ChemSpider