Met007181: Waltherione A
Metabolite Information
Name
Waltherione A
IUPAC Name
(1S,12R,13R)-12-hydroxy-5-methoxy-12-(2-methoxyphenyl)-6-methyl-16-oxa-7-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2(11),3(8),5,9-tetraen-4-one
Molecular Formula
C23H23NO5
Molecular Weight
393.4
Exact Mass
393.1576228
SMILES
CC1=C(C(=O)C2=C(N1)C=CC3=C2C4CCC(C3(C5=CC=CC=C5OC)O)O4)OC
InChIKey
VTNKIOPLJCPQRL-IXFSTUDKSA-N
InChI
InChI=1S/C23H23NO5/c1-12-22(28-3)21(25)20-15(24-12)9-8-14-19(20)17-10-11-18(29-17)23(14,26)13-6-4-5-7-16(13)27-2/h4-9,17-18,26H,10-11H2,1-3H3,(H,24,25)/t17-,18+,23-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Quinolines and derivatives
Subclass:
Quinolones and derivatives
Crops containing this metabolite
bittermelon
grape
peanut
tomato
grape
peanut
tomato
Metabolite Spectrum Accession Label