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CHEBI:228883 - Laetanine

ChEBI IDCHEBI:228883
ChEBI NameLaetanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19NO4
Net Charge0
Average Mass313.353
Monoisotopic Mass313.13141
SMILES[H][C@]12Cc3cc(OC)c(O)cc3-c3c(OC)c(O)cc(c31)CCN2
InChIInChI=1S/C18H19NO4/c1-22-15-7-10-5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(16)11(10)8-13(15)20/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1
InChIKeyURQAEFLEDPPPFX-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Laetanine (CHEBI:228883) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
(6aS)-1,9-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol
Manual XrefsDatabases
60600119ChemSpider