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CHEBI:188627 - O-methylthalibrine

ChEBI IDCHEBI:188627
ChEBI NameO-methylthalibrine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H46N2O6
Net Charge0
Average Mass638.805
Monoisotopic Mass638.33559
SMILESCOc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3cc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)N(C)CC2
InChIInChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m0/s1
InChIKeyUHYCXSGUNAWVBW-LQJZCPKCSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
O-methylthalibrine (CHEBI:188627) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Manual XrefsDatabases
161639ChemSpider
Registry NumbersSources
CAS:59654-05-6ChemIDplus