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CHEBI:6625 - Macoline

ChEBI IDCHEBI:6625
ChEBI NameMacoline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC37H41N2O6
Net Charge+1
Average Mass609.743
Monoisotopic Mass609.29591
SMILES[H][C@]12Cc3ccc(O)c(c3)Oc3ccc(cc3)C[C@]3([H])c4c(cc(OC)c(O)c4Oc4cc1c(cc4OC)CCN2C)CC[N+]3(C)C
InChIInChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)17-29-35-25(13-15-39(29,2)3)20-34(43-5)36(41)37(35)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
InChIKeyMRNNKFDOEWDVRD-URLMMPGGSA-O
ChEBI Ontology
Outgoing Relation(s)
Macoline (CHEBI:6625) is a isoquinolines (CHEBI:24922)
Synonym  Source
MacolineKEGG COMPOUND
Manual XrefsDatabases
C09580KEGG COMPOUND
C00001884KNApSAcK
Registry NumbersSources
CAS:66216-59-9KEGG COMPOUND