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CHEBI:176300 - Bismurrayafoline E

Default Structure
ChEBI IDCHEBI:176300
ChEBI NameBismurrayafoline E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H56N2O4
Net Charge0
Average Mass724.986
Monoisotopic Mass724.42401
SMILESCOc1ccc2c(nc3c(-c4c(O)c(C)cc5c4nc4c(C/C=C(\C)CCC=C(C)C)c(OC)ccc45)c(O)c(C)cc32)c1C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C48H56N2O4/c1-27(2)13-11-15-29(5)17-19-35-39(53-9)23-21-33-37-25-31(7)47(51)41(45(37)49-43(33)35)42-46-38(26-32(8)48(42)52)34-22-24-40(54-10)36(44(34)50-46)20-18-30(6)16-12-14-28(3)4/h13-14,17-18,21-26,49-52H,11-12,15-16,19-20H2,1-10H3/b29-17+,30-18+
InChIKeyOUSUKIXJVMBEMB-YAGSLNJISA-N
ChEBI Ontology
Outgoing Relation(s)
Bismurrayafoline E (CHEBI:176300) is a carbazoles (CHEBI:48513)
IUPAC Name 
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-7-methoxy-3-methyl-9H-carbazol-1-yl]-7-methoxy-3-methyl-9H-carbazol-2-ol
Manual XrefsDatabases
30777204ChemSpider
HMDB0037741HMDB