Search MNXref
 Feedback

pulcherrimin

MNXM108320 is deprecated and here replaced by MNXM726603
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726603 Image of MNXM726603
referencechebi:71601
formulaC12H18Fe2N2O4
global charge2
mol weight365.976
InChIKeyXENTWZJLVFFYPY-UHFFFAOYSA-L
InChIInChI=1S/C12H20N2O4.2Fe/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17;;/h7-8,15-16H,5-6H2,1-4H3;;/q;2*+2/p-2
SMILESCC(C)CC1=C2O[Fe]O[N+]2=C(CC(C)C)C2=[N+]1O[Fe]O2
MNX internals
InChI (mnx)InChI=1/C12H20N2O4.2Fe/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17;;/h7-8,15-16H,5-6H2,1-4H3;;/q;2*+2 Image of MNXM726603
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[CH2:5][C:9]1=[C:11]([OH:15])[N+:14](=[O:18])[C:10]([CH2:6][CH:8]([CH3:3])[CH3:4])=[C:12]([OH:16])[N:13]1[O-:17].[Fe+2:19].[Fe+2:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71601
chebi:71601
XENTWZJLVFFYPY-UHFFFAOYSA-L 		pulcherrimin
mu-[1,2-di(hydroxy-1kappaO)-4,5-di(hydroxy-2kappaO)-3,6-diisobutylpyrazinediiumato(4-)]diiron(2+)