Met007004: Nitrovin
Metabolite Information
Name
Nitrovin
IUPAC Name
2-[[(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylidene]amino]guanidine
Molecular Formula
C14H12N6O6
Molecular Weight
360.28
Exact Mass
360.0818321
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-]
InChIKey
XQCFHQBGMWUEMY-ZPUQHVIOSA-N
InChI
InChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18)/b3-1+,4-2+
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Furans
Subclass:
Nitrofurans
Crops containing this metabolite
perilla
Metabolite Spectrum Accession Label