Met001103: 3'-O-Acetylisopteleflorine
Metabolite Information
Name
3'-O-Acetylisopteleflorine
IUPAC Name
2-(10-methoxy-3,5,14-trioxa-16-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),7,10,15-pentaen-13-yl)propan-2-yl acetate
Molecular Formula
C18H19NO6
Molecular Weight
345.3
Exact Mass
345.1212373
SMILES
CC(=O)OC(C)(C)C1CC2=C(C3=C(C4=C(C=C3)OCO4)N=C2O1)OC
InChIKey
CYAVXEPWXHEXAF-UHFFFAOYSA-N
InChI
InChI=1S/C18H19NO6/c1-9(20)25-18(2,3)13-7-11-15(21-4)10-5-6-12-16(23-8-22-12)14(10)19-17(11)24-13/h5-6,13H,7-8H2,1-4H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Quinolines and derivatives
Subclass:
Dihydrofuranoquinolines
Crops containing this metabolite
carrot
eggplant
eggplant
Metabolite Spectrum Accession Label