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CHEBI:205136 - Pyrenoline B

ChEBI IDCHEBI:205136
ChEBI NamePyrenoline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H13NO3
Net Charge0
Average Mass243.262
Monoisotopic Mass243.08954
SMILESCc1cc2cc3c(c(O)c2cn1)C(=O)CC[C@@H]3O
InChIInChI=1S/C14H13NO3/c1-7-4-8-5-9-11(16)2-3-12(17)13(9)14(18)10(8)6-15-7/h4-6,11,16,18H,2-3H2,1H3/t11-/m0/s1
InChIKeyNIYXKENUJWLUGW-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Pyrenophora teres (ncbitaxon:53485) - DOI (10.1016/0040-4039(90)80086-2)
ChEBI Ontology
Outgoing Relation(s)
Pyrenoline B (CHEBI:205136) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
Manual XrefsDatabases
78440213ChemSpider