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CHEBI:8886 - rodiasine

ChEBI IDCHEBI:8886
ChEBI Namerodiasine
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC38H42N2O6
Net Charge0
Average Mass622.762
Monoisotopic Mass622.30429
SMILES[H][C@]12Cc3ccc(OC)c(c3)-c3cc(ccc3O)C[C@]3([H])c4cc(c(OC)cc4CCN3C)Oc3c(OC)c(OC)cc(c31)CCN2C
InChIInChI=1S/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-22-7-9-31(41)27(15-22)28-16-23(8-10-32(28)42-3)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3/t29-,30+/m1/s1
InChIKeyHIQZXOFBXJICTD-IHLOFXLRSA-N
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)
rodiasine (CHEBI:8886) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
rodiasine (CHEBI:8886) is a isoquinoline alkaloid fundamental parent (CHEBI:38515)
IUPAC Name 
rodiasine
Synonym  Source
RodiasineKEGG COMPOUND
Manual XrefsDatabases
C09624KEGG COMPOUND
C00001912KNApSAcK
Registry NumbersSources
Beilstein:1070583Beilstein
CAS:6391-64-6KEGG COMPOUND