Met002453: Murrastifoline C
Metabolite Information
Name
Murrastifoline C
IUPAC Name
(3R)-5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
Molecular Formula
C37H36N2O2
Molecular Weight
540.7
Exact Mass
540.2776784
SMILES
CC1=CC2=C(C(=C1)OC)N(C3=CC=CC=C32)CC4=CC5=C(C6=C4OC(C=C6)(C)CCC=C(C)C)NC7=CC=CC=C75
InChIKey
OUMPCHLTWGZFFZ-DIPNUNPCSA-N
InChI
InChI=1S/C37H36N2O2/c1-23(2)11-10-17-37(4)18-16-28-34-29(26-12-6-8-14-31(26)38-34)21-25(36(28)41-37)22-39-32-15-9-7-13-27(32)30-19-24(3)20-33(40-5)35(30)39/h6-9,11-16,18-21,38H,10,17,22H2,1-5H3/t37-/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Indoles and derivatives
Subclass:
Carbazoles
Crops containing this metabolite
cassava
wheat
wheat
Metabolite Spectrum Accession Label